notebooks/00_exploration_drugmechdb.ipynb

{
 "cells": [
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "e62a03da",
   "metadata": {},
   "source": [
    "# Exploration of DrugMechDB\n",
    "\n",
    "Here, I explore [DrugMechDB](https://sulab.github.io/DrugMechDB/) which could ideally provide us with true positive paths / MOAs."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 1,
   "id": "d34454e0",
   "metadata": {},
   "outputs": [],
   "source": [
    "import pandas as pd\n",
    "import os.path as osp\n",
    "from collections import Counter\n",
    "from urllib import request\n",
    "import json\n",
    "from matplotlib import pyplot as plt\n",
    "from matplotlib_venn import venn2_unweighted\n",
    "import numpy as np\n",
    "import math\n",
    "import requests\n",
    "from tqdm import tqdm\n",
    "from pubchempy import get_compounds\n",
    "from collections import defaultdict"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "83ace06e",
   "metadata": {},
   "source": [
    "## Load in the DrugMechDB file:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 2,
   "id": "cfa03a32",
   "metadata": {},
   "outputs": [],
   "source": [
    "VALIDATION_DIR = '../data/validation'\n",
    "MAPPING_DIR = './data/mappings'\n",
    "KG_DIR = '../data/kg'"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "1b47b692",
   "metadata": {},
   "source": [
    "The database download comes as an excel file with many separate sheets, so it needs to be read in as separate dataframes:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 3,
   "id": "39895ade",
   "metadata": {},
   "outputs": [],
   "source": [
    "indications = pd.read_excel('f{VALIDATION_DIR}/indication_MOA_paths.xlsx', sheet_name='sample_indications')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 4,
   "id": "9cc49388",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>name</th>\n",
       "      <th>num_ind_dc</th>\n",
       "      <th>db_id</th>\n",
       "      <th>comp_mesh_ids</th>\n",
       "      <th>disease_name</th>\n",
       "      <th>dis_mesh_id</th>\n",
       "      <th>Comments</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>imatinib</td>\n",
       "      <td>11.0</td>\n",
       "      <td>DB00619</td>\n",
       "      <td>MESH:D000068877</td>\n",
       "      <td>CML (ph+)</td>\n",
       "      <td>MESH:D015464</td>\n",
       "      <td>Multiple ways to represent this path, experime...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>imatinib</td>\n",
       "      <td>11.0</td>\n",
       "      <td>DB00619</td>\n",
       "      <td>MESH:D000068877</td>\n",
       "      <td>Systemic mast cell disease</td>\n",
       "      <td>MESH:D034721</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>imatinib</td>\n",
       "      <td>11.0</td>\n",
       "      <td>DB00619</td>\n",
       "      <td>MESH:D000068877</td>\n",
       "      <td>Systemic mast cell disease</td>\n",
       "      <td>MESH:D034721</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>acetaminophen</td>\n",
       "      <td>NaN</td>\n",
       "      <td>DB00316</td>\n",
       "      <td>MESH:D000082</td>\n",
       "      <td>Pain</td>\n",
       "      <td>MESH:D010146</td>\n",
       "      <td>Multiple ways to represent this path, experime...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>acetaminophen</td>\n",
       "      <td>NaN</td>\n",
       "      <td>DB00316</td>\n",
       "      <td>MESH:D000082</td>\n",
       "      <td>Pain</td>\n",
       "      <td>MESH:D010146</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "            name  num_ind_dc    db_id    comp_mesh_ids  \\\n",
       "0       imatinib        11.0  DB00619  MESH:D000068877   \n",
       "1       imatinib        11.0  DB00619  MESH:D000068877   \n",
       "2       imatinib        11.0  DB00619  MESH:D000068877   \n",
       "3  acetaminophen         NaN  DB00316     MESH:D000082   \n",
       "4  acetaminophen         NaN  DB00316     MESH:D000082   \n",
       "\n",
       "                 disease_name   dis_mesh_id  \\\n",
       "0                   CML (ph+)  MESH:D015464   \n",
       "1  Systemic mast cell disease  MESH:D034721   \n",
       "2  Systemic mast cell disease  MESH:D034721   \n",
       "3                        Pain  MESH:D010146   \n",
       "4                        Pain  MESH:D010146   \n",
       "\n",
       "                                            Comments  \n",
       "0  Multiple ways to represent this path, experime...  \n",
       "1                                                NaN  \n",
       "2                                                NaN  \n",
       "3  Multiple ways to represent this path, experime...  \n",
       "4                                                NaN  "
      ]
     },
     "execution_count": 4,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "indications.head()"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "aba9d51c",
   "metadata": {},
   "source": [
    "We can see the the drugs are provided as [DrugBank](https://go.drugbank.com) identifiers, and the diseases are providued as [MeSh identifiers](https://www.nlm.nih.gov/mesh/meshhome.html). \n",
    "\n",
    "Let's look at the paths:\n",
    "\n",
    "## Path Instances in DrugMechDB"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 5,
   "id": "bcb04c05",
   "metadata": {},
   "outputs": [],
   "source": [
    "paths = pd.read_excel(f'{VALIDATION_DIR}/indication_MOA_paths.xlsx', sheet_name='paths')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 6,
   "id": "77a476ea",
   "metadata": {},
   "outputs": [
    {
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       "      <th></th>\n",
       "      <th>n1</th>\n",
       "      <th>e1</th>\n",
       "      <th>n2</th>\n",
       "      <th>e2</th>\n",
       "      <th>n3</th>\n",
       "      <th>e3</th>\n",
       "      <th>n4</th>\n",
       "      <th>e4</th>\n",
       "      <th>n5</th>\n",
       "      <th>e5</th>\n",
       "      <th>n6</th>\n",
       "      <th>e6</th>\n",
       "      <th>n7</th>\n",
       "      <th>e7</th>\n",
       "      <th>n8</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>imatinib</td>\n",
       "      <td>INHIBITS</td>\n",
       "      <td>BCR/ABL</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>CML (ph+)</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>imatinib</td>\n",
       "      <td>INHIBITS</td>\n",
       "      <td>c-Kit</td>\n",
       "      <td>UP_REGULATES</td>\n",
       "      <td>Cellular proliferation</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Systemic mast cell disease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>imatinib</td>\n",
       "      <td>INHIBITS</td>\n",
       "      <td>Pdgf</td>\n",
       "      <td>UP_REGULATES</td>\n",
       "      <td>Cellular proliferation</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Systemic mast cell disease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>acetaminophen</td>\n",
       "      <td>INHIBITS</td>\n",
       "      <td>cycloxygenaze pathways</td>\n",
       "      <td>ASSOCIATED_WITH</td>\n",
       "      <td>Pain</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>acetaminophen</td>\n",
       "      <td>INHIBITS</td>\n",
       "      <td>Cox-1</td>\n",
       "      <td>PRODUCES</td>\n",
       "      <td>Prostaglandins</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Pain</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
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      ],
      "text/plain": [
       "              n1        e1                      n2               e2  \\\n",
       "0       imatinib  INHIBITS                 BCR/ABL           CAUSES   \n",
       "1       imatinib  INHIBITS                   c-Kit     UP_REGULATES   \n",
       "2       imatinib  INHIBITS                    Pdgf     UP_REGULATES   \n",
       "3  acetaminophen  INHIBITS  cycloxygenaze pathways  ASSOCIATED_WITH   \n",
       "4  acetaminophen  INHIBITS                   Cox-1         PRODUCES   \n",
       "\n",
       "                       n3      e3                          n4   e4   n5   e5  \\\n",
       "0               CML (ph+)     NaN                         NaN  NaN  NaN  NaN   \n",
       "1  Cellular proliferation  CAUSES  Systemic mast cell disease  NaN  NaN  NaN   \n",
       "2  Cellular proliferation  CAUSES  Systemic mast cell disease  NaN  NaN  NaN   \n",
       "3                    Pain     NaN                         NaN  NaN  NaN  NaN   \n",
       "4          Prostaglandins  CAUSES                        Pain  NaN  NaN  NaN   \n",
       "\n",
       "    n6   e6   n7   e7   n8  \n",
       "0  NaN  NaN  NaN  NaN  NaN  \n",
       "1  NaN  NaN  NaN  NaN  NaN  \n",
       "2  NaN  NaN  NaN  NaN  NaN  \n",
       "3  NaN  NaN  NaN  NaN  NaN  \n",
       "4  NaN  NaN  NaN  NaN  NaN  "
      ]
     },
     "execution_count": 6,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "paths.head()"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "f68f0a7c",
   "metadata": {},
   "source": [
    "How long are most of the paths? I'll define the length of the paths as the number of edges/hops."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 7,
   "id": "387be2d4",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Counter({4.0: 59, 3.0: 38, 2.0: 13, 5.0: 8, 1.0: 3, 7.0: 1, 6.0: 1})"
      ]
     },
     "execution_count": 7,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Counter([(row.count() - 1) / 2 for i, row in paths.iterrows()])"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "a4a4ed29",
   "metadata": {},
   "source": [
    "It looks like most are length 4.\n",
    "\n",
    "Only 3 are above length 5.\n",
    "\n",
    "What if we only take those which end in a biological process?\n",
    "\n",
    "It might be better to work from the JSON file instead, which can be found [here](https://github.com/SuLab/DrugMechDB/blob/1.0/indication_paths.json). In contrast to the paths in the dataframe, the JSON version has the types for each node."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 8,
   "id": "a7545b78",
   "metadata": {},
   "outputs": [],
   "source": [
    "url = \"https://raw.githubusercontent.com/SuLab/DrugMechDB/1.0/indication_paths.json\"\n",
    "filepath = f\"{VALIDATION_DIR}/drugmechdb_paths.json\""
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 9,
   "id": "f49f4af3",
   "metadata": {},
   "outputs": [],
   "source": [
    "with request.urlopen(url) as fl:\n",
    "    data_json = json.loads(fl.read())"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "44f027dc",
   "metadata": {},
   "source": [
    "Are there the same number of paths as before?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 10,
   "id": "3e312303",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "123"
      ]
     },
     "execution_count": 10,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(data_json)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 11,
   "id": "d52d2c24",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[{'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'imatinib',\n",
       "   'disease': 'CML (ph+)',\n",
       "   'drugbank': 'DB00619',\n",
       "   'drug_mesh': 'MESH:D000068877',\n",
       "   'disease_mesh': 'MESH:D015464'},\n",
       "  'nodes': [{'id': 'MESH:D000068877', 'name': 'imatinib', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P00519', 'name': 'BCR/ABL', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D015464', 'name': 'CML (ph+)', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068877',\n",
       "    'target': 'UniProt:P00519',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P00519', 'target': 'MESH:D015464', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'imatinib',\n",
       "   'disease': 'Systemic mast cell disease',\n",
       "   'drugbank': 'DB00619',\n",
       "   'drug_mesh': 'MESH:D000068877',\n",
       "   'disease_mesh': 'MESH:D034721'},\n",
       "  'nodes': [{'id': 'MESH:D000068877', 'name': 'imatinib', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P10721', 'name': 'c-Kit', 'label': 'Protein'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cellular proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D034721',\n",
       "    'name': 'Systemic mast cell disease',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068877',\n",
       "    'target': 'UniProt:P10721',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P10721', 'target': 'GO:0008283', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D034721', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'imatinib',\n",
       "   'disease': 'Systemic mast cell disease',\n",
       "   'drugbank': 'DB00619',\n",
       "   'drug_mesh': 'MESH:D000068877',\n",
       "   'disease_mesh': 'MESH:D034721'},\n",
       "  'nodes': [{'id': 'MESH:D000068877', 'name': 'imatinib', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P16234', 'name': 'Pdgf', 'label': 'Protein'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cellular proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D034721',\n",
       "    'name': 'Systemic mast cell disease',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068877',\n",
       "    'target': 'UniProt:P16234',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P16234', 'target': 'GO:0008283', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D034721', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acetaminophen',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00316',\n",
       "   'drug_mesh': 'MESH:D000082',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D000082', 'name': 'acetaminophen', 'label': 'Drug'},\n",
       "   {'id': 'REACT:R-HSA-2162123',\n",
       "    'name': 'cycloxygenaze pathways',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000082',\n",
       "    'target': 'REACT:R-HSA-2162123',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'REACT:R-HSA-2162123',\n",
       "    'target': 'MESH:D010146',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acetaminophen',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00316',\n",
       "   'drug_mesh': 'MESH:D000082',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D000082', 'name': 'acetaminophen', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23219', 'name': 'Cox-1', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D011453', 'name': 'Prostaglandins', 'label': 'Compound Class'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000082',\n",
       "    'target': 'UniProt:P23219',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P23219', 'target': 'MESH:D011453', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D011453', 'target': 'MESH:D010146', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acetaminophen',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00316',\n",
       "   'drug_mesh': 'MESH:D000082',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D000082', 'name': 'acetaminophen', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35354', 'name': 'Cox-2', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D011453', 'name': 'Prostaglandins', 'label': 'Compound Class'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000082',\n",
       "    'target': 'UniProt:P35354',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35354', 'target': 'MESH:D011453', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D011453', 'target': 'MESH:D010146', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acetaminophen',\n",
       "   'disease': 'Fever',\n",
       "   'drugbank': 'DB00316',\n",
       "   'drug_mesh': 'MESH:D000082',\n",
       "   'disease_mesh': 'MESH:D005334'},\n",
       "  'nodes': [{'id': 'MESH:D000082', 'name': 'acetaminophen', 'label': 'Drug'},\n",
       "   {'id': 'REACT:R-HSA-2162123',\n",
       "    'name': 'cycloxygenaze pathways',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'UBERON:0000955', 'name': 'Brain', 'label': 'Anatomy'},\n",
       "   {'id': 'GO:0001659',\n",
       "    'name': 'Temperature Homeostasis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D005334', 'name': 'Fever', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000082',\n",
       "    'target': 'REACT:R-HSA-2162123',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'REACT:R-HSA-2162123',\n",
       "    'target': 'UBERON:0000955',\n",
       "    'key': 'LOCALIZED_TO'},\n",
       "   {'source': 'UBERON:0000955', 'target': 'GO:0001659', 'key': 'REGULATES'},\n",
       "   {'source': 'GO:0001659', 'target': 'MESH:D005334', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acetylsalicylic acid',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00945',\n",
       "   'drug_mesh': 'MESH:D001241',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D001241',\n",
       "    'name': 'acetylsalicylic acid',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23219', 'name': 'Cox-1', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D011453', 'name': 'Prostaglandins', 'label': 'Compound Class'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D001241',\n",
       "    'target': 'UniProt:P23219',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P23219', 'target': 'MESH:D011453', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D011453', 'target': 'MESH:D010146', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acetylsalicylic acid',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00945',\n",
       "   'drug_mesh': 'MESH:D001241',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D001241',\n",
       "    'name': 'acetylsalicylic acid',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35354', 'name': 'Cox-2', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D011453', 'name': 'Prostaglandins', 'label': 'Compound Class'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D001241',\n",
       "    'target': 'UniProt:P35354',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35354', 'target': 'MESH:D011453', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D011453', 'target': 'MESH:D010146', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acetylsalicylic acid',\n",
       "   'disease': 'Thrombosis',\n",
       "   'drugbank': 'DB00945',\n",
       "   'drug_mesh': 'MESH:D001241',\n",
       "   'disease_mesh': 'MESH:D013927'},\n",
       "  'nodes': [{'id': 'MESH:D001241',\n",
       "    'name': 'acetylsalicylic acid',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23219', 'name': 'COX', 'label': 'Protein'},\n",
       "   {'id': 'REACT:R-HSA-2162123',\n",
       "    'name': 'Synthesis of Prostaglandins and Thromboxanes',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'MESH:D013928', 'name': 'Thromboxane A2', 'label': 'Compound'},\n",
       "   {'id': 'GO:0007596',\n",
       "    'name': 'Platelet Activiation / Blood Coagulation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D013927', 'name': 'Thrombosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D001241',\n",
       "    'target': 'UniProt:P23219',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P23219',\n",
       "    'target': 'REACT:R-HSA-2162123',\n",
       "    'key': 'PART_OF'},\n",
       "   {'source': 'REACT:R-HSA-2162123',\n",
       "    'target': 'MESH:D013928',\n",
       "    'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D013928', 'target': 'GO:0007596', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0007596', 'target': 'MESH:D013927', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acetylsalicylic acid',\n",
       "   'disease': 'Thrombosis',\n",
       "   'drugbank': 'DB00945',\n",
       "   'drug_mesh': 'MESH:D001241',\n",
       "   'disease_mesh': 'MESH:D013927'},\n",
       "  'nodes': [{'id': 'MESH:D001241',\n",
       "    'name': 'acetylsalicylic acid',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23219', 'name': 'COX', 'label': 'Protein'},\n",
       "   {'id': 'GO:0007596',\n",
       "    'name': 'Blood Coagulation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D013927', 'name': 'Thrombosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D001241',\n",
       "    'target': 'UniProt:P23219',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P23219', 'target': 'GO:0007596', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0007596', 'target': 'MESH:D013927', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'naproxen',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00788',\n",
       "   'drug_mesh': 'MESH:D009288',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D009288', 'name': 'naproxen', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35354', 'name': 'Cox-2', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D011453', 'name': 'Prostaglandins', 'label': 'Compound Class'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009288',\n",
       "    'target': 'UniProt:P35354',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35354', 'target': 'MESH:D011453', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D011453', 'target': 'GO:0006954', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D010146', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'norfloxacin',\n",
       "   'disease': 'Shigellosis',\n",
       "   'drugbank': 'DB01059',\n",
       "   'drug_mesh': 'MESH:D009643',\n",
       "   'disease_mesh': 'MESH:D004405'},\n",
       "  'nodes': [{'id': 'MESH:D009643', 'name': 'norfloxacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P43702',\n",
       "    'name': 'topoisomerases II, IV',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006260',\n",
       "    'name': 'Bactierial DNA Replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:622', 'name': 'Shigella dysenteriae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D004405', 'name': 'Shigellosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009643',\n",
       "    'target': 'UniProt:P43702',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P43702', 'target': 'GO:0006260', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006260', 'target': 'NCBITaxon:622', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:622', 'target': 'MESH:D004405', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'norfloxacin',\n",
       "   'disease': 'Shigellosis',\n",
       "   'drugbank': 'DB01059',\n",
       "   'drug_mesh': 'MESH:D009643',\n",
       "   'disease_mesh': 'MESH:D004405'},\n",
       "  'nodes': [{'id': 'MESH:D009643', 'name': 'norfloxacin', 'label': 'Drug'},\n",
       "   {'id': 'GO:0003746',\n",
       "    'name': 'Translocation of EF-G',\n",
       "    'label': 'Molecular Function'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Protein Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:622', 'name': 'Shigella dysenteriae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D004405', 'name': 'Shigellosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009643',\n",
       "    'target': 'GO:0003746',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'GO:0003746', 'target': 'GO:0006412', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:622', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:622', 'target': 'MESH:D004405', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cortisone acetate',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB01380',\n",
       "   'drug_mesh': 'MESH:D003348',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D003348',\n",
       "    'name': 'cortisone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'lipocortin-1', 'label': 'Protein'},\n",
       "   {'id': 'REACT:R-HSA-2162123',\n",
       "    'name': 'Prostaglandin Synthesis',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003348',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'INCREASES_EXPRESSION'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'REACT:R-HSA-2162123',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'REACT:R-HSA-2162123',\n",
       "    'target': 'GO:0006954',\n",
       "    'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cortisone acetate',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB01380',\n",
       "   'drug_mesh': 'MESH:D003348',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D003348',\n",
       "    'name': 'cortisone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23219', 'name': 'COX Genes', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D011453', 'name': 'Prostaglandins', 'label': 'Compound Class'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003348',\n",
       "    'target': 'UniProt:P23219',\n",
       "    'key': 'DECREASES_EXPRESSION'},\n",
       "   {'source': 'UniProt:P23219', 'target': 'MESH:D011453', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D011453', 'target': 'GO:0006954', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cortisone acetate',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB01380',\n",
       "   'drug_mesh': 'MESH:D003348',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D003348',\n",
       "    'name': 'cortisone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'lipocortin-1', 'label': 'Protein'},\n",
       "   {'id': 'GO:0050900', 'name': 'Immune Cell Funciton', 'label': 'Pathway'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003348',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'INCREASES_EXPRESSION'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'GO:0050900',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0050900', 'target': 'GO:0006954', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cortisone acetate',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB01380',\n",
       "   'drug_mesh': 'MESH:D003348',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D003348',\n",
       "    'name': 'cortisone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'Annexin A1', 'label': 'Protein'},\n",
       "   {'id': 'REACT:R-HSA-2162123',\n",
       "    'name': 'Prostaglandin Synthesis',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003348',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'REACT:R-HSA-2162123',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'REACT:R-HSA-2162123',\n",
       "    'target': 'GO:0006954',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cortisone acetate',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB01380',\n",
       "   'drug_mesh': 'MESH:D003348',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D003348',\n",
       "    'name': 'cortisone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P23219', 'name': 'COX genes', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D011453', 'name': 'Prostaglandins', 'label': 'Compound Class'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003348',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P23219',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P23219', 'target': 'MESH:D011453', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D011453', 'target': 'GO:0006954', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'valganciclovir',\n",
       "   'disease': 'CMV infection',\n",
       "   'drugbank': 'DB01610',\n",
       "   'drug_mesh': 'MESH:D000077562',\n",
       "   'disease_mesh': 'MESH:D003586'},\n",
       "  'nodes': [{'id': 'MESH:D000077562',\n",
       "    'name': 'valganciclovir',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'MESH:D015774', 'name': 'ganciclovir', 'label': 'Compound'},\n",
       "   {'id': 'GO:0039693',\n",
       "    'name': 'viral DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:10358', 'name': 'Cytomegalovirus', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D003586', 'name': 'CMV infection', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000077562',\n",
       "    'target': 'MESH:D015774',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'MESH:D015774', 'target': 'GO:0039693', 'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0039693',\n",
       "    'target': 'NCBITaxon:10358',\n",
       "    'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:10358', 'target': 'MESH:D003586', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'metronidazole',\n",
       "   'disease': 'Bacterial septicemia',\n",
       "   'drugbank': 'DB00916',\n",
       "   'drug_mesh': 'MESH:D008795',\n",
       "   'disease_mesh': 'MESH:D018805'},\n",
       "  'nodes': [{'id': 'MESH:D008795', 'name': 'metronidazole', 'label': 'Drug'},\n",
       "   {'id': 'MESH:C029371',\n",
       "    'name': 'hydroxyethyl oxamic acid',\n",
       "    'label': 'Compound'},\n",
       "   {'id': 'GO:0003676',\n",
       "    'name': 'bacterial Nucleic Acid synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:2', 'name': 'Bacteria', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D018805', 'name': 'Bacterial septicemia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D008795',\n",
       "    'target': 'MESH:C029371',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'MESH:C029371', 'target': 'GO:0003676', 'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0003676', 'target': 'NCBITaxon:2', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:2', 'target': 'MESH:D018805', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'demeclocycline',\n",
       "   'disease': 'Rickettsialpox',\n",
       "   'drugbank': 'DB00618',\n",
       "   'drug_mesh': 'MESH:D003707',\n",
       "   'disease_mesh': 'MESH:D000073605'},\n",
       "  'nodes': [{'id': 'MESH:D003707', 'name': 'demeclocycline', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0A7S3',\n",
       "    'name': '30S Ribosomal Subunit',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:786', 'name': 'Rickettsia akari', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D000073605', 'name': 'Rickettsialpox', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003707',\n",
       "    'target': 'UniProt:P0A7S3',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0A7S3', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:786', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:786', 'target': 'MESH:D000073605', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'demeclocycline',\n",
       "   'disease': 'Rickettsialpox',\n",
       "   'drugbank': 'DB00618',\n",
       "   'drug_mesh': 'MESH:D003707',\n",
       "   'disease_mesh': 'MESH:D000073605'},\n",
       "  'nodes': [{'id': 'MESH:D003707', 'name': 'demeclocycline', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0A7J3',\n",
       "    'name': '50S Ribosomal Subunit',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:786', 'name': 'Rickettsia akari', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D000073605', 'name': 'Rickettsialpox', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003707',\n",
       "    'target': 'UniProt:P0A7J3',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0A7J3', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:786', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:786', 'target': 'MESH:D000073605', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'amoxicillin',\n",
       "   'disease': 'Streptococcal tonsillitis',\n",
       "   'drugbank': 'DB01060',\n",
       "   'drug_mesh': 'MESH:D000658',\n",
       "   'disease_mesh': 'MESH:D014069'},\n",
       "  'nodes': [{'id': 'MESH:D000658', 'name': 'amoxicillin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P71707',\n",
       "    'name': 'Penicillin-binding protein 1A',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Peptidoglycan Biosyntheic Process',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1314',\n",
       "    'name': 'Streptococcus pyogenes',\n",
       "    'label': 'Taxon'},\n",
       "   {'id': 'MESH:D014069',\n",
       "    'name': 'Streptococcal tonsillitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000658',\n",
       "    'target': 'UniProt:P71707',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P71707', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:1314', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1314', 'target': 'MESH:D014069', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'alatrofloxacin',\n",
       "   'disease': 'Staphylococcal pneumonia',\n",
       "   'drugbank': 'DB09335',\n",
       "   'drug_mesh': 'MESH:C106856',\n",
       "   'disease_mesh': 'MESH:D011023'},\n",
       "  'nodes': [{'id': 'MESH:C106856', 'name': 'alatrofloxacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0C1U9', 'name': 'Topoisomeraze 4', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006260',\n",
       "    'name': 'Bacterial DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1280', 'name': 'Staphylococcus aureus', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D011023',\n",
       "    'name': 'Staphylococcal pneumonia',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C106856',\n",
       "    'target': 'UniProt:P0C1U9',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0C1U9', 'target': 'GO:0006260', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006260', 'target': 'NCBITaxon:1280', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1280', 'target': 'MESH:D011023', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'alatrofloxacin',\n",
       "   'disease': 'Staphylococcal pneumonia',\n",
       "   'drugbank': 'DB09335',\n",
       "   'drug_mesh': 'MESH:C106856',\n",
       "   'disease_mesh': 'MESH:D011023'},\n",
       "  'nodes': [{'id': 'MESH:C106856', 'name': 'alatrofloxacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P20831', 'name': 'DNA gyrase', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006260',\n",
       "    'name': 'Bacterial DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1280', 'name': 'Staphylococcus aureus', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D011023',\n",
       "    'name': 'Staphylococcal pneumonia',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C106856',\n",
       "    'target': 'UniProt:P20831',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P20831', 'target': 'GO:0006260', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006260', 'target': 'NCBITaxon:1280', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1280', 'target': 'MESH:D011023', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'amikacin',\n",
       "   'disease': 'Bacterial meningitis',\n",
       "   'drugbank': 'DB00479',\n",
       "   'drug_mesh': 'MESH:D000583',\n",
       "   'disease_mesh': 'MESH:D016920'},\n",
       "  'nodes': [{'id': 'MESH:D000583', 'name': 'amikacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0A7S3',\n",
       "    'name': '30S Ribosomal Subunit',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:2', 'name': 'Bacteria', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D016920', 'name': 'Bacterial meningitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000583',\n",
       "    'target': 'UniProt:P0A7S3',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0A7S3', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:2', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:2', 'target': 'MESH:D016920', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'dexamethasone',\n",
       "   'disease': 'Tenosynovitis',\n",
       "   'drugbank': 'DB01234',\n",
       "   'drug_mesh': 'MESH:D003907',\n",
       "   'disease_mesh': 'MESH:D013717'},\n",
       "  'nodes': [{'id': 'MESH:D003907', 'name': 'dexamethasone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'Annexin A1', 'label': 'Protein'},\n",
       "   {'id': 'REACT:R-HSA-2162123',\n",
       "    'name': 'Prostaglandin Synthesis',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D013717', 'name': 'Tenosynovitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003907',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'REACT:R-HSA-2162123',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'REACT:R-HSA-2162123',\n",
       "    'target': 'GO:0006954',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D013717', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ceftazidime',\n",
       "   'disease': 'Bacterial urinary infection',\n",
       "   'drugbank': 'DB00438',\n",
       "   'drug_mesh': 'MESH:D002442',\n",
       "   'disease_mesh': 'MESH:D014552'},\n",
       "  'nodes': [{'id': 'MESH:D002442', 'name': 'ceftazidime', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q8DR59',\n",
       "    'name': 'Penicillin-binding proteins',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Bacterial Cell Wall Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:562', 'name': 'Escherichia coli', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D014552',\n",
       "    'name': 'Bacterial urinary infection',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D002442',\n",
       "    'target': 'UniProt:Q8DR59',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q8DR59', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:562', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:562', 'target': 'MESH:D014552', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'pinacidil',\n",
       "   'disease': 'Hypertension',\n",
       "   'drugbank': 'DB06762',\n",
       "   'drug_mesh': 'MESH:D020110',\n",
       "   'disease_mesh': 'MESH:D006973'},\n",
       "  'nodes': [{'id': 'MESH:D020110', 'name': 'pinacidil', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q12791',\n",
       "    'name': 'Calcium-activated potassium channel subunit alpha-1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0042311', 'name': 'Vasodilation', 'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008217',\n",
       "    'name': 'Negative Regulation of Blood Pressure',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D006973', 'name': 'Hypertension', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D020110',\n",
       "    'target': 'UniProt:Q12791',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:Q12791', 'target': 'GO:0042311', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0042311', 'target': 'GO:0008217', 'key': 'ASSOCIATED_WITH'},\n",
       "   {'source': 'GO:0008217', 'target': 'MESH:D006973', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'posaconazole',\n",
       "   'disease': 'Fungal Infection',\n",
       "   'drugbank': 'DB01263',\n",
       "   'drug_mesh': 'MESH:C101425',\n",
       "   'disease_mesh': 'MESH:D009181'},\n",
       "  'nodes': [{'id': 'MESH:C101425', 'name': 'posaconazole', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P10613',\n",
       "    'name': 'sterol 14a-demethylase',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'MESH:D004875', 'name': 'ergosterol', 'label': 'Compound'},\n",
       "   {'id': 'GO:0009277',\n",
       "    'name': 'Fungal Cell Membrane',\n",
       "    'label': 'Cellular Component'},\n",
       "   {'id': 'MESH:D009181', 'name': 'Fungal Infection', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C101425',\n",
       "    'target': 'UniProt:P10613',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P10613', 'target': 'MESH:D004875', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D004875', 'target': 'GO:0009277', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0009277',\n",
       "    'target': 'MESH:D009181',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'antazoline',\n",
       "   'disease': 'Vasomotor rhinitis',\n",
       "   'drugbank': 'DB08799',\n",
       "   'drug_mesh': 'MESH:D000865',\n",
       "   'disease_mesh': 'MESH:D012223'},\n",
       "  'nodes': [{'id': 'MESH:D000865', 'name': 'antazoline', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35367',\n",
       "    'name': 'histamine H1 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0034776',\n",
       "    'name': 'histamine response',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012223', 'name': 'Vasomotor rhinitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000865',\n",
       "    'target': 'UniProt:P35367',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35367', 'target': 'GO:0034776', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0034776', 'target': 'MESH:D012223', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'levofloxacin',\n",
       "   'disease': 'Pyelonephritis',\n",
       "   'drugbank': 'DB01137',\n",
       "   'drug_mesh': 'MESH:D064704',\n",
       "   'disease_mesh': 'MESH:D011704'},\n",
       "  'nodes': [{'id': 'MESH:D064704', 'name': 'levofloxacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P11388', 'name': 'DNA gyrase', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006260',\n",
       "    'name': 'Bacterial DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:562', 'name': 'E. coli', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D011704', 'name': 'Pyelonephritis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D064704',\n",
       "    'target': 'UniProt:P11388',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P11388', 'target': 'GO:0006260', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006260', 'target': 'NCBITaxon:562', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:562', 'target': 'MESH:D011704', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'meloxicam',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00814',\n",
       "   'drug_mesh': 'MESH:D000077239',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D000077239', 'name': 'meloxicam', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35354',\n",
       "    'name': 'Prostaglandin synthhase 2',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'MESH:D011453', 'name': 'Prostaglandins', 'label': 'Compound Class'},\n",
       "   {'id': 'InterPro:IPR000265',\n",
       "    'name': 'Pain Receptors',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000077239',\n",
       "    'target': 'UniProt:P35354',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35354', 'target': 'MESH:D011453', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D011453',\n",
       "    'target': 'InterPro:IPR000265',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'InterPro:IPR000265',\n",
       "    'target': 'MESH:D010146',\n",
       "    'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'nimodipine',\n",
       "   'disease': 'Subarachnoid intracranial hemorrhage',\n",
       "   'drugbank': 'DB00393',\n",
       "   'drug_mesh': 'MESH:D009553',\n",
       "   'disease_mesh': 'MESH:D020300'},\n",
       "  'nodes': [{'id': 'MESH:D009553', 'name': 'nimodipine', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR005446',\n",
       "    'name': 'voltage dependent l-type calcium channels',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0006939',\n",
       "    'name': 'Smooth muscle contraction',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008217',\n",
       "    'name': 'Blood Pressure',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D013345',\n",
       "    'name': 'Subarachnoid intracranial hemorrhage',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009553',\n",
       "    'target': 'InterPro:IPR005446',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'InterPro:IPR005446',\n",
       "    'target': 'GO:0006939',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006939', 'target': 'GO:0008217', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0008217', 'target': 'MESH:D013345', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'calcium glucoheptonate',\n",
       "   'disease': 'hypocalcemia',\n",
       "   'drugbank': 'DB00326',\n",
       "   'drug_mesh': 'MESH:C007852',\n",
       "   'disease_mesh': 'MESH:D006996'},\n",
       "  'nodes': [{'id': 'MESH:C007852',\n",
       "    'name': 'calcium glucoheptonate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'MESH:D002118', 'name': 'Calcium Ion', 'label': 'Compound'},\n",
       "   {'id': 'MESH:D006996', 'name': 'hypocalcemia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C007852',\n",
       "    'target': 'MESH:D002118',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'MESH:D002118', 'target': 'MESH:D006996', 'key': 'REDUCED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'fluticasone propionate',\n",
       "   'disease': 'Bronchitis',\n",
       "   'drugbank': 'DB00588',\n",
       "   'drug_mesh': 'MESH:D000068298',\n",
       "   'disease_mesh': 'MESH:D001991'},\n",
       "  'nodes': [{'id': 'MESH:D000068298',\n",
       "    'name': 'fluticasone propionate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P47712', 'name': 'Phospholipase A2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D001991', 'name': 'Bronchitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068298',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P47712',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P47712', 'target': 'GO:0006954', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D001991', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'fluticasone propionate',\n",
       "   'disease': 'Bronchitis',\n",
       "   'drugbank': 'DB00588',\n",
       "   'drug_mesh': 'MESH:D000068298',\n",
       "   'disease_mesh': 'MESH:D001991'},\n",
       "  'nodes': [{'id': 'MESH:D000068298',\n",
       "    'name': 'fluticasone propionate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P22301', 'name': 'IL-10', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D001991', 'name': 'Bronchitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068298',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P22301',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:P22301',\n",
       "    'target': 'GO:0006954',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D001991', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'fluphenazine',\n",
       "   'disease': 'Schizophrenia',\n",
       "   'drugbank': 'DB00623',\n",
       "   'drug_mesh': 'MESH:D005476',\n",
       "   'disease_mesh': 'MESH:D012559'},\n",
       "  'nodes': [{'id': 'MESH:D005476', 'name': 'fluphenazine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P14416',\n",
       "    'name': 'D(2) dopamine receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0030252',\n",
       "    'name': 'growth hormone secretion',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012559', 'name': 'Schizophrenia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005476',\n",
       "    'target': 'UniProt:P14416',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P14416', 'target': 'GO:0030252', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0030252', 'target': 'MESH:D012559', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'fluphenazine',\n",
       "   'disease': 'Schizophrenia',\n",
       "   'drugbank': 'DB00623',\n",
       "   'drug_mesh': 'MESH:D005476',\n",
       "   'disease_mesh': 'MESH:D012559'},\n",
       "  'nodes': [{'id': 'MESH:D005476', 'name': 'fluphenazine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P21728',\n",
       "    'name': 'dopaminaergeinc receptors',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'MESH:D010907',\n",
       "    'name': 'hypophyseal hormones',\n",
       "    'label': 'Compound Class'},\n",
       "   {'id': 'MESH:D012559', 'name': 'Schizophrenia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005476',\n",
       "    'target': 'UniProt:P21728',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P21728',\n",
       "    'target': 'MESH:D010907',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'MESH:D010907',\n",
       "    'target': 'MESH:D012559',\n",
       "    'key': 'UPREGULATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'terfenadine',\n",
       "   'disease': 'allergic skin disorders',\n",
       "   'drugbank': 'DB00342',\n",
       "   'drug_mesh': 'MESH:D016593',\n",
       "   'disease_mesh': 'MESH:D065631'},\n",
       "  'nodes': [{'id': 'MESH:D016593', 'name': 'terfenadine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35367',\n",
       "    'name': 'histamine H1 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'HP:0000969', 'name': 'Edema', 'label': 'Phenotype'},\n",
       "   {'id': 'MESH:D017449',\n",
       "    'name': 'allergic skin disorders',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D016593',\n",
       "    'target': 'UniProt:P35367',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35367',\n",
       "    'target': 'HP:0000969',\n",
       "    'key': 'ASSOCIATED_WITH'},\n",
       "   {'source': 'HP:0000969', 'target': 'MESH:D017449', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'abacavir',\n",
       "   'disease': 'HIV infection',\n",
       "   'drugbank': 'DB01048',\n",
       "   'drug_mesh': 'MESH:C106538',\n",
       "   'disease_mesh': 'MESH:D015658'},\n",
       "  'nodes': [{'id': 'MESH:C106538', 'name': 'abacavir', 'label': 'Drug'},\n",
       "   {'id': 'MESH:C066928',\n",
       "    'name': 'carbovir triphosphate',\n",
       "    'label': 'Compound'},\n",
       "   {'id': 'UniProt:P04585',\n",
       "    'name': 'HIV-1 reverse transcriptase',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0039693',\n",
       "    'name': 'Viral DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D015658', 'name': 'HIV infection', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C106538',\n",
       "    'target': 'MESH:C066928',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'MESH:C066928', 'target': 'UniProt:P04585', 'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P04585', 'target': 'GO:0039693', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0039693', 'target': 'MESH:D015658', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'norethisterone',\n",
       "   'disease': 'Menorrhagia',\n",
       "   'drugbank': 'DB00717',\n",
       "   'drug_mesh': 'MESH:D009640',\n",
       "   'disease_mesh': 'MESH:D008595'},\n",
       "  'nodes': [{'id': 'MESH:D009640', 'name': 'norethisterone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P06401',\n",
       "    'name': 'progesterone receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P01148',\n",
       "    'name': 'gonadotropin releasing hormone',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0032275',\n",
       "    'name': 'Luteinizing hormone secretion',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D008595', 'name': 'Menorrhagia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009640',\n",
       "    'target': 'UniProt:P06401',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P06401',\n",
       "    'target': 'UniProt:P01148',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P01148',\n",
       "    'target': 'GO:0032275',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0032275',\n",
       "    'target': 'MESH:D008595',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ziprasidone',\n",
       "   'disease': 'Schizophrenia',\n",
       "   'drugbank': 'DB00246',\n",
       "   'drug_mesh': 'MESH:C092292',\n",
       "   'disease_mesh': 'MESH:D012559'},\n",
       "  'nodes': [{'id': 'MESH:C092292', 'name': 'ziprasidone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P28223', 'name': '5HT2A receptor', 'label': 'Protein'},\n",
       "   {'id': 'HP:0000708', 'name': 'behavior', 'label': 'Phenotype'},\n",
       "   {'id': 'MESH:D012559', 'name': 'Schizophrenia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C092292',\n",
       "    'target': 'UniProt:P28223',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P28223',\n",
       "    'target': 'HP:0000708',\n",
       "    'key': 'ASSOCIATED_WITH'},\n",
       "   {'source': 'HP:0000708', 'target': 'MESH:D012559', 'key': 'PRESENTED_BY'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'carbinoxamine',\n",
       "   'disease': 'seasonal allergic conjunctivitis',\n",
       "   'drugbank': 'DB00748',\n",
       "   'drug_mesh': 'MESH:C004649',\n",
       "   'disease_mesh': 'MESH:D003233'},\n",
       "  'nodes': [{'id': 'MESH:C004649', 'name': 'carbinoxamine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35367',\n",
       "    'name': 'histamine H1 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0034776',\n",
       "    'name': 'histamine response',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003233',\n",
       "    'name': 'seasonal allergic conjunctivitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C004649',\n",
       "    'target': 'UniProt:P35367',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35367', 'target': 'GO:0034776', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0034776', 'target': 'MESH:D003233', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'follitropin',\n",
       "   'disease': 'primary ovarian failure',\n",
       "   'drugbank': 'DB00066',\n",
       "   'drug_mesh': 'MESH:D005640',\n",
       "   'disease_mesh': 'MESH:D016649'},\n",
       "  'nodes': [{'id': 'MESH:D005640', 'name': 'follitropin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23945',\n",
       "    'name': 'Human follicle stimulating hormone receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0030728', 'name': 'ovulation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D016649',\n",
       "    'name': 'primary ovarian failure',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005640',\n",
       "    'target': 'UniProt:P23945',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P23945', 'target': 'GO:0030728', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0030728', 'target': 'MESH:D016649', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ceftriaxone',\n",
       "   'disease': 'Gonorrhea',\n",
       "   'drugbank': 'DB01212',\n",
       "   'drug_mesh': 'MESH:D002443',\n",
       "   'disease_mesh': 'MESH:D006069'},\n",
       "  'nodes': [{'id': 'MESH:D002443', 'name': 'ceftriaxone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:O05131',\n",
       "    'name': 'Penicillin-binding protein 2B',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Bacterial Cell Wall Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:485', 'name': 'N. gonorrhoeae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D006069', 'name': 'Gonorrhea', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D002443',\n",
       "    'target': 'UniProt:O05131',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:O05131', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:485', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:485', 'target': 'MESH:D006069', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'fusidic acid',\n",
       "   'disease': 'Anthrax',\n",
       "   'drugbank': 'DB02703',\n",
       "   'drug_mesh': 'MESH:D005672',\n",
       "   'disease_mesh': 'MESH:D000881'},\n",
       "  'nodes': [{'id': 'MESH:D005672', 'name': 'fusidic acid', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q81VT3', 'name': 'elongation factor g', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1392', 'name': 'Bacillus anthracis', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D000881', 'name': 'Anthrax', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005672',\n",
       "    'target': 'UniProt:Q81VT3',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q81VT3', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:1392', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1392', 'target': 'MESH:D000881', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'warfarin',\n",
       "   'disease': 'Pulmonary embolism',\n",
       "   'drugbank': 'DB00682',\n",
       "   'drug_mesh': 'MESH:D014859',\n",
       "   'disease_mesh': 'MESH:D011655'},\n",
       "  'nodes': [{'id': 'MESH:D014859', 'name': 'warfarin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q9BQB6', 'name': 'vitamin k reductase', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D014812', 'name': 'reduced vitamin k', 'label': 'Compound'},\n",
       "   {'id': 'GO:0007596',\n",
       "    'name': 'Coagulation factor Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D011655', 'name': 'Pulmonary embolism', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D014859',\n",
       "    'target': 'UniProt:Q9BQB6',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q9BQB6', 'target': 'MESH:D014812', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D014812', 'target': 'GO:0007596', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0007596', 'target': 'MESH:D011655', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'metreleptin',\n",
       "   'disease': 'lipodystrophy',\n",
       "   'drugbank': 'DB09046',\n",
       "   'drug_mesh': 'MESH:C415771',\n",
       "   'disease_mesh': 'MESH:D008060'},\n",
       "  'nodes': [{'id': 'MESH:C415771', 'name': 'metreleptin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P48357', 'name': 'leptin receptor', 'label': 'Protein'},\n",
       "   {'id': 'GO:0060612', 'name': 'adipogenesis', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D008060', 'name': 'lipodystrophy', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C415771',\n",
       "    'target': 'UniProt:P48357',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P48357', 'target': 'GO:0060612', 'key': 'REGULATES'},\n",
       "   {'source': 'GO:0060612', 'target': 'MESH:D008060', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ceftizoxime',\n",
       "   'disease': 'Klebsiella cystitis',\n",
       "   'drugbank': 'DB01332',\n",
       "   'drug_mesh': 'MESH:D015296',\n",
       "   'disease_mesh': 'MESH:D007710'},\n",
       "  'nodes': [{'id': 'MESH:D015296', 'name': 'ceftizoxime', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P71707',\n",
       "    'name': 'Penicillin-binding protein 1A',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Bacterial Cell Wall Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:573', 'name': 'Klebsiella pneumoniae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D007710', 'name': 'Klebsiella cystitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D015296',\n",
       "    'target': 'UniProt:P71707',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P71707', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:573', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:573', 'target': 'MESH:D007710', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'loratadine',\n",
       "   'disease': 'Allergic Rhinitis',\n",
       "   'drugbank': 'DB00455',\n",
       "   'drug_mesh': 'MESH:D017336',\n",
       "   'disease_mesh': 'MESH:D065631'},\n",
       "  'nodes': [{'id': 'MESH:D017336', 'name': 'loratadine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35367',\n",
       "    'name': 'histamine H1 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0034776',\n",
       "    'name': 'histamine response',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D065631', 'name': 'Allergic Rhinitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D017336',\n",
       "    'target': 'UniProt:P35367',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35367', 'target': 'GO:0034776', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0034776', 'target': 'MESH:D065631', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'oxymetazoline',\n",
       "   'disease': 'Nasal Congestion',\n",
       "   'drugbank': 'DB00935',\n",
       "   'drug_mesh': 'MESH:D010109',\n",
       "   'disease_mesh': 'MESH:D015508'},\n",
       "  'nodes': [{'id': 'MESH:D010109', 'name': 'oxymetazoline', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35348',\n",
       "    'name': 'Alpha-1a adrenergic receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0042310',\n",
       "    'name': 'Vasoconstriction',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D015508', 'name': 'Nasal Congestion', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D010109',\n",
       "    'target': 'UniProt:P35348',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P35348', 'target': 'GO:0042310', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0042310', 'target': 'MESH:D015508', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'phenobarbital',\n",
       "   'disease': 'Epilepsy',\n",
       "   'drugbank': 'DB01174',\n",
       "   'drug_mesh': 'MESH:D010634',\n",
       "   'disease_mesh': 'MESH:D004827'},\n",
       "  'nodes': [{'id': 'MESH:D010634', 'name': 'phenobarbital', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR006028',\n",
       "    'name': 'GABAA Receptors',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0099536',\n",
       "    'name': 'Synaptic Signaling',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D004827', 'name': 'Epilepsy', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D010634',\n",
       "    'target': 'InterPro:IPR006028',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'InterPro:IPR006028',\n",
       "    'target': 'GO:0099536',\n",
       "    'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0099536', 'target': 'MESH:D004827', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'lidocaine',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00281',\n",
       "   'drug_mesh': 'MESH:D008012',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D008012', 'name': 'lidocaine', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR028809',\n",
       "    'name': 'Neuronal Voltage gated sodium channels',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0019233 ',\n",
       "    'name': 'Sensory perception of pain',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'},\n",
       "   {'id': None, 'name': 'Pain', 'label': None}],\n",
       "  'links': [{'source': 'MESH:D008012',\n",
       "    'target': 'InterPro:IPR028809',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'InterPro:IPR028809',\n",
       "    'target': 'GO:0019233 ',\n",
       "    'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0019233 ', 'target': 'MESH:D010146', 'key': 'CAUSES'},\n",
       "   {'source': 'MESH:D010146', 'target': None, 'key': None}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'duloxetine',\n",
       "   'disease': 'major depressive disorder',\n",
       "   'drugbank': 'DB00476',\n",
       "   'drug_mesh': 'MESH:D000068736',\n",
       "   'disease_mesh': 'MESH:D003865'},\n",
       "  'nodes': [{'id': 'MESH:D000068736', 'name': 'duloxetine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P31645',\n",
       "    'name': 'sodium dependent serotonin transporter',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0051610',\n",
       "    'name': 'Neuronal serotonin reuptake',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003865',\n",
       "    'name': 'major depressive disorder',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068736',\n",
       "    'target': 'UniProt:P31645',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P31645', 'target': 'GO:0051610', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0051610', 'target': 'MESH:D003865', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'doxylamine',\n",
       "   'disease': 'Allergic Rhinitis',\n",
       "   'drugbank': 'DB00366',\n",
       "   'drug_mesh': 'MESH:D004319',\n",
       "   'disease_mesh': 'MESH:D065631'},\n",
       "  'nodes': [{'id': 'MESH:D004319', 'name': 'doxylamine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35367',\n",
       "    'name': 'histamine H1 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0034776',\n",
       "    'name': 'histamine response',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D065631', 'name': 'Allergic Rhinitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D004319',\n",
       "    'target': 'UniProt:P35367',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35367', 'target': 'GO:0034776', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0034776', 'target': 'MESH:D065631', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'leucovorin',\n",
       "   'disease': 'Megaloblastic anemia (Methotrexate Treatment)',\n",
       "   'drugbank': 'DB00650',\n",
       "   'drug_mesh': 'MESH:D002955',\n",
       "   'disease_mesh': 'MESH:D000749'},\n",
       "  'nodes': [{'id': 'MESH:D002955', 'name': 'leucovorin', 'label': 'Drug'},\n",
       "   {'id': 'MESH:D005492', 'name': 'Folic Acid', 'label': 'Compound'},\n",
       "   {'id': 'MESH:D000749',\n",
       "    'name': 'Megaloblastic anemia (Methotrexate Treatment)',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D002955',\n",
       "    'target': 'MESH:D005492',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'MESH:D005492', 'target': 'MESH:D000749', 'key': 'REDUCED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'clarithromycin',\n",
       "   'disease': 'Acute maxillary sinusitis',\n",
       "   'drugbank': 'DB01211',\n",
       "   'drug_mesh': 'MESH:D017291',\n",
       "   'disease_mesh': 'MESH:D015523'},\n",
       "  'nodes': [{'id': 'MESH:D017291', 'name': 'clarithromycin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P44350',\n",
       "    'name': '50S Ribosomal protein l-10',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:727', 'name': 'Haemophilus influenzae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D015523',\n",
       "    'name': 'Acute maxillary sinusitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D017291',\n",
       "    'target': 'UniProt:P44350',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P44350', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:727', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:727', 'target': 'MESH:D015523', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'minoxidil',\n",
       "   'disease': 'androgenic alopecia',\n",
       "   'drugbank': 'DB00350',\n",
       "   'drug_mesh': 'MESH:D008914',\n",
       "   'disease_mesh': 'MESH:D000505'},\n",
       "  'nodes': [{'id': 'MESH:D008914', 'name': 'minoxidil', 'label': 'Drug'},\n",
       "   {'id': 'CL:0000346',\n",
       "    'name': 'dermal papillary cells',\n",
       "    'label': 'Cell Type'},\n",
       "   {'id': 'MESH:D000505', 'name': 'androgenic alopecia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D008914',\n",
       "    'target': 'CL:0000346',\n",
       "    'key': 'STIMULATES'},\n",
       "   {'source': 'CL:0000346', 'target': 'MESH:D000505', 'key': 'REDUCED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'minoxidil',\n",
       "   'disease': 'Hypertension',\n",
       "   'drugbank': 'DB00350',\n",
       "   'drug_mesh': 'MESH:D008914',\n",
       "   'disease_mesh': 'MESH:D006973'},\n",
       "  'nodes': [{'id': 'MESH:D008914', 'name': 'minoxidil', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P48048',\n",
       "    'name': 'ATP-sensitive inward rectifier potassium channel 1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0042311', 'name': 'Vasodilation', 'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008217',\n",
       "    'name': 'Blood Pressure',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D006973', 'name': 'Hypertension', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D008914',\n",
       "    'target': 'UniProt:P48048',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P48048', 'target': 'GO:0042311', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0042311', 'target': 'GO:0008217', 'key': 'REDUCES'},\n",
       "   {'source': 'GO:0008217', 'target': 'MESH:D006973', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'sildenafil',\n",
       "   'disease': 'Erectile Disfunction',\n",
       "   'drugbank': 'DB00203',\n",
       "   'drug_mesh': 'MESH:D000068677',\n",
       "   'disease_mesh': 'MESH:D007172'},\n",
       "  'nodes': [{'id': 'MESH:D000068677', 'name': 'sildenafil', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:O76074',\n",
       "    'name': 'phosphodisterase type 5',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'MESH:D006152', 'name': 'cGMP', 'label': 'Compound'},\n",
       "   {'id': 'GO:0042311', 'name': 'Vasodilation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007172', 'name': 'Erectile Disfunction', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068677',\n",
       "    'target': 'UniProt:O76074',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:O76074', 'target': 'MESH:D006152', 'key': 'REDUCES'},\n",
       "   {'source': 'MESH:D006152', 'target': 'GO:0042311', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0042311', 'target': 'MESH:D007172', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'gemifloxacin',\n",
       "   'disease': 'Bacterial pneumonia',\n",
       "   'drugbank': 'DB01155',\n",
       "   'drug_mesh': 'MESH:D000077735',\n",
       "   'disease_mesh': 'MESH:D018410'},\n",
       "  'nodes': [{'id': 'MESH:D000077735', 'name': 'gemifloxacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P72525', 'name': 'Topoisomeraze 4', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006260',\n",
       "    'name': 'Bacterial DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1313',\n",
       "    'name': 'Streptococcus pneumoniae',\n",
       "    'label': 'Taxon'},\n",
       "   {'id': 'MESH:D018410', 'name': 'Bacterial pneumonia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000077735',\n",
       "    'target': 'UniProt:P72525',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P72525', 'target': 'GO:0006260', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006260', 'target': 'NCBITaxon:1313', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1313', 'target': 'MESH:D018410', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'betamethasone',\n",
       "   'disease': \"Crohn's disease\",\n",
       "   'drugbank': 'DB00443',\n",
       "   'drug_mesh': 'MESH:D001623',\n",
       "   'disease_mesh': 'MESH:D003424'},\n",
       "  'nodes': [{'id': 'MESH:D001623', 'name': 'betamethasone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P47712', 'name': 'Phospholipase A2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003424', 'name': \"Crohn's disease\", 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D001623',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P47712',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P47712', 'target': 'GO:0006954', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D003424', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'tazanolast',\n",
       "   'disease': 'Allergic conjuctivitis',\n",
       "   'drugbank': None,\n",
       "   'drug_mesh': 'MESH:C106301',\n",
       "   'disease_mesh': 'MESH:D003233'},\n",
       "  'nodes': [{'id': 'MESH:C106301', 'name': 'tazanolast', 'label': 'Drug'},\n",
       "   {'id': 'GO:0002553',\n",
       "    'name': 'Histamine sections by Mast Cell',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003233',\n",
       "    'name': 'Allergic conjuctivitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C106301',\n",
       "    'target': 'GO:0002553',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'GO:0002553',\n",
       "    'target': 'MESH:D003233',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'triamcinolone diacetate',\n",
       "   'disease': \"Crohn's disease\",\n",
       "   'drugbank': 'DB00620',\n",
       "   'drug_mesh': 'MESH:D014221',\n",
       "   'disease_mesh': 'MESH:D003424'},\n",
       "  'nodes': [{'id': 'MESH:D014221',\n",
       "    'name': 'triamcinolone diacetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P47712', 'name': 'Phospholipase A2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003424', 'name': \"Crohn's disease\", 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D014221',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P47712',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P47712', 'target': 'GO:0006954', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D003424', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'gabapentin',\n",
       "   'disease': 'Restless Legs Syndrome',\n",
       "   'drugbank': 'DB00996',\n",
       "   'drug_mesh': 'MESH:D000077206',\n",
       "   'disease_mesh': 'MESH:D012148'},\n",
       "  'nodes': [{'id': 'MESH:D000077206', 'name': 'gabapentin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P54289',\n",
       "    'name': 'voltage dependent calcium channel alpha-2-delta',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006936',\n",
       "    'name': 'Muscle Contraction',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012148',\n",
       "    'name': 'Restless Legs Syndrome',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000077206',\n",
       "    'target': 'UniProt:P54289',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P54289', 'target': 'GO:0006936', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006936', 'target': 'MESH:D012148', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'imipenem',\n",
       "   'disease': 'Peritonitis',\n",
       "   'drugbank': 'DB01598',\n",
       "   'drug_mesh': 'MESH:D015378',\n",
       "   'disease_mesh': 'MESH:D010538'},\n",
       "  'nodes': [{'id': 'MESH:D015378', 'name': 'imipenem', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0AD65',\n",
       "    'name': 'Penicillin-binding proteins',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Bacterial Cell Wall Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:562', 'name': 'Escherichia coli', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D010538', 'name': 'Peritonitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D015378',\n",
       "    'target': 'UniProt:P0AD65',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0AD65', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:562', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:562', 'target': 'MESH:D010538', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'prednisolone',\n",
       "   'disease': 'Sarcoidosis',\n",
       "   'drugbank': 'DB00860',\n",
       "   'drug_mesh': 'MESH:D011239',\n",
       "   'disease_mesh': 'MESH:D012507'},\n",
       "  'nodes': [{'id': 'MESH:D011239', 'name': 'prednisolone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'lipocortins', 'label': 'Protein'},\n",
       "   {'id': 'UniProt:P47712', 'name': 'phospholipase a2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006954',\n",
       "    'name': 'Inflammation signaling',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012507', 'name': 'Sarcoidosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D011239',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'UniProt:P47712',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P47712', 'target': 'GO:0006954', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D012507', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'pramocaine',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB09345',\n",
       "   'drug_mesh': 'MESH:C005548',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:C005548', 'name': 'pramocaine', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR028809',\n",
       "    'name': 'Neuronal Voltage gated sodium channels',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0019227',\n",
       "    'name': 'Neuronal Action Potential Transmission',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C005548',\n",
       "    'target': 'InterPro:IPR028809',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'InterPro:IPR028809',\n",
       "    'target': 'GO:0019227',\n",
       "    'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0019227', 'target': 'MESH:D010146', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'neomycin',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB00994',\n",
       "   'drug_mesh': 'MESH:D009355',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D009355', 'name': 'neomycin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0A0H0',\n",
       "    'name': '30S Ribosomal Subunit',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1280', 'name': 'Staphylococcus aureus', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009355',\n",
       "    'target': 'UniProt:P0A0H0',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0A0H0', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:1280', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1280', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ertapenem',\n",
       "   'disease': 'Bacterial pneumonia',\n",
       "   'drugbank': 'DB00303',\n",
       "   'drug_mesh': 'MESH:D000077727',\n",
       "   'disease_mesh': 'MESH:D018410'},\n",
       "  'nodes': [{'id': 'MESH:D000077727', 'name': 'ertapenem', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P44469',\n",
       "    'name': 'Penicillin-binding proteins',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Bacterial Cell Wall Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:727', 'name': 'Haemophilus influenzae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D018410', 'name': 'Bacterial pneumonia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000077727',\n",
       "    'target': 'UniProt:P44469',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P44469', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:727', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:727', 'target': 'MESH:D018410', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'halcinonide',\n",
       "   'disease': 'Dermatosis',\n",
       "   'drugbank': 'DB06786',\n",
       "   'drug_mesh': 'MESH:D006206',\n",
       "   'disease_mesh': 'MESH:D012871'},\n",
       "  'nodes': [{'id': 'MESH:D006206', 'name': 'halcinonide', 'label': 'Drug'},\n",
       "   {'id': 'GO:0006954',\n",
       "    'name': 'inflammatory signalling',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012871', 'name': 'Dermatosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D006206',\n",
       "    'target': 'GO:0006954',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D012871', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'pimozide',\n",
       "   'disease': 'Tourette’s Disorder',\n",
       "   'drugbank': 'DB01100',\n",
       "   'drug_mesh': 'MESH:D010868',\n",
       "   'disease_mesh': 'MESH:D005879'},\n",
       "  'nodes': [{'id': 'MESH:D010868', 'name': 'pimozide', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P14416',\n",
       "    'name': 'Dopamine D2 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0014046',\n",
       "    'name': 'Dopamine Release',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'HP:0100033', 'name': 'tics', 'label': 'Phenotype'},\n",
       "   {'id': 'MESH:D005879', 'name': 'Tourette’s Disorder', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D010868',\n",
       "    'target': 'UniProt:P14416',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P14416', 'target': 'GO:0014046', 'key': 'ACTIVATED_BY'},\n",
       "   {'source': 'GO:0014046', 'target': 'HP:0100033', 'key': 'ASSOCIATED_WITH'},\n",
       "   {'source': 'HP:0100033', 'target': 'MESH:D005879', 'key': 'PRESENTED_BY'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'clortermine',\n",
       "   'disease': 'Anorexia nervosa',\n",
       "   'drugbank': 'DB01527',\n",
       "   'drug_mesh': None,\n",
       "   'disease_mesh': 'MESH:D000856'},\n",
       "  'nodes': [{'id': 'DB:DB01527', 'name': 'clortermine', 'label': 'Drug'},\n",
       "   {'id': 'MESH:D000856', 'name': 'Anorexia nervosa', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'DB:DB01527',\n",
       "    'target': 'MESH:D000856',\n",
       "    'key': 'TREATS'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'levonorgestrel',\n",
       "   'disease': 'Menorrhagia',\n",
       "   'drugbank': 'DB00367',\n",
       "   'drug_mesh': 'MESH:D016912',\n",
       "   'disease_mesh': 'MESH:D008595'},\n",
       "  'nodes': [{'id': 'MESH:D016912', 'name': 'levonorgestrel', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P06401',\n",
       "    'name': 'progesterone receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P01148',\n",
       "    'name': 'gonadotropin releasing hormone',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0032275',\n",
       "    'name': 'Luteinizing hormone secretion',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D008595', 'name': 'Menorrhagia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D016912',\n",
       "    'target': 'UniProt:P06401',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P06401',\n",
       "    'target': 'UniProt:P01148',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P01148',\n",
       "    'target': 'GO:0032275',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0032275',\n",
       "    'target': 'MESH:D008595',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'dimethyl fumarate',\n",
       "   'disease': 'Multiple Sclerosis',\n",
       "   'drugbank': 'DB08908',\n",
       "   'drug_mesh': 'MESH:D000069462',\n",
       "   'disease_mesh': 'MESH:D009103'},\n",
       "  'nodes': [{'id': 'MESH:D000069462',\n",
       "    'name': 'dimethyl fumarate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'MESH:Q14145',\n",
       "    'name': 'Kelch-like ECH-associated protein 1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:Q16236', 'name': 'Nrf2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006979',\n",
       "    'name': 'Oxidative Stress',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D009103', 'name': 'Multiple Sclerosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000069462',\n",
       "    'target': 'MESH:Q14145',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'MESH:Q14145',\n",
       "    'target': 'UniProt:Q16236',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:Q16236',\n",
       "    'target': 'GO:0006979',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0006979',\n",
       "    'target': 'MESH:D009103',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'inulin',\n",
       "   'disease': 'Hyperglycemia',\n",
       "   'drugbank': 'DB00638',\n",
       "   'drug_mesh': 'MESH:D007444',\n",
       "   'disease_mesh': 'MESH:D006943'},\n",
       "  'nodes': [{'id': 'MESH:D007444', 'name': 'inulin', 'label': 'Drug'},\n",
       "   {'id': 'GO:0032099',\n",
       "    'name': 'negative regulation of appetite',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D006943', 'name': 'Hyperglycemia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D007444',\n",
       "    'target': 'GO:0032099',\n",
       "    'key': 'ASSOCIATED_WITH'},\n",
       "   {'source': 'GO:0032099', 'target': 'MESH:D006943', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'protriptyline',\n",
       "   'disease': 'Major depressive disorder',\n",
       "   'drugbank': 'DB00344',\n",
       "   'drug_mesh': 'MESH:D011530',\n",
       "   'disease_mesh': 'MESH:D003865'},\n",
       "  'nodes': [{'id': 'MESH:D011530', 'name': 'protriptyline', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23975',\n",
       "    'name': 'Sodium dependent noradrenaline transporter',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'MESH:D009638', 'name': 'noradrenaline', 'label': 'Compound'},\n",
       "   {'id': 'GO:0023041',\n",
       "    'name': 'Neuronal activation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003865',\n",
       "    'name': 'Major depressive disorder',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D011530',\n",
       "    'target': 'UniProt:P23975',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P23975', 'target': 'MESH:D009638', 'key': 'REDUCES'},\n",
       "   {'source': 'MESH:D009638', 'target': 'GO:0023041', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0023041', 'target': 'MESH:D003865', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'terguride',\n",
       "   'disease': 'Pulmonary hypertension',\n",
       "   'drugbank': None,\n",
       "   'drug_mesh': 'MESH:C006208',\n",
       "   'disease_mesh': 'MESH:D006976'},\n",
       "  'nodes': [{'id': 'MESH:C006208', 'name': 'terguride', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P41595',\n",
       "    'name': '5-Hydroxytryptamine receptor 2B',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'MESH:D006976',\n",
       "    'name': 'Pulmonary hypertension',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C006208',\n",
       "    'target': 'UniProt:P41595',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P41595',\n",
       "    'target': 'MESH:D006976',\n",
       "    'key': 'UPREGULATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'lafutidine',\n",
       "   'disease': 'Gastroesophageal Reflux',\n",
       "   'drugbank': 'DB12770',\n",
       "   'drug_mesh': 'MESH:C076948',\n",
       "   'disease_mesh': 'MESH:D005764'},\n",
       "  'nodes': [{'id': 'MESH:C076948', 'name': 'lafutidine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P25021',\n",
       "    'name': 'Histamine H2 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0001696',\n",
       "    'name': 'Gastric acid secretion',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D005764',\n",
       "    'name': 'Gastroesophageal Reflux',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C076948',\n",
       "    'target': 'UniProt:P25021',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P25021', 'target': 'GO:0001696', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0001696', 'target': 'MESH:D005764', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ospemifene',\n",
       "   'disease': 'Dyspareunia',\n",
       "   'drugbank': 'DB04938',\n",
       "   'drug_mesh': 'MESH:C119141',\n",
       "   'disease_mesh': 'MESH:D004414'},\n",
       "  'nodes': [{'id': 'MESH:C119141', 'name': 'ospemifene', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P03372', 'name': 'estrogen receptor', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D004967', 'name': 'estrogen', 'label': 'Compound'},\n",
       "   {'id': 'MESH:D059268',\n",
       "    'name': 'postmenopausal atrophic vaginitis',\n",
       "    'label': 'Disease'},\n",
       "   {'id': 'MESH:D004414', 'name': 'Dyspareunia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C119141',\n",
       "    'target': 'UniProt:P03372',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P03372',\n",
       "    'target': 'MESH:D004967',\n",
       "    'key': 'ACTIVATED_BY'},\n",
       "   {'source': 'MESH:D004967', 'target': 'MESH:D059268', 'key': 'REDUCED_IN'},\n",
       "   {'source': 'MESH:D059268',\n",
       "    'target': 'MESH:D004414',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'erythromycin',\n",
       "   'disease': 'Listeriosis',\n",
       "   'drugbank': 'DB00199',\n",
       "   'drug_mesh': 'MESH:D004917',\n",
       "   'disease_mesh': 'MESH:D008088'},\n",
       "  'nodes': [{'id': 'MESH:D004917', 'name': 'erythromycin', 'label': 'Drug'},\n",
       "   {'id': 'MESH:D012338', 'name': '23S Ribosomal RNA', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1637', 'name': 'Listeria spp.', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D008088', 'name': 'Listeriosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D004917',\n",
       "    'target': 'MESH:D012338',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'MESH:D012338', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:1637', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1637', 'target': 'MESH:D008088', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'aminobenzoic acid',\n",
       "   'disease': 'Pemphigus',\n",
       "   'drugbank': 'DB02362',\n",
       "   'drug_mesh': 'MESH:D010129',\n",
       "   'disease_mesh': 'MESH:D010392'},\n",
       "  'nodes': [{'id': 'MESH:D010129',\n",
       "    'name': 'aminobenzoic acid',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'MESH:D010392', 'name': 'Pemphigus', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D010129',\n",
       "    'target': 'MESH:D010392',\n",
       "    'key': 'TREATS'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'glipizide',\n",
       "   'disease': 'Hyperglycemia',\n",
       "   'drugbank': 'DB01067',\n",
       "   'drug_mesh': 'MESH:D005913',\n",
       "   'disease_mesh': 'MESH:D006943'},\n",
       "  'nodes': [{'id': 'MESH:D005913', 'name': 'glipizide', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q09428',\n",
       "    'name': 'ATP-binding cassette sub-family C member 8',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'CL:0000169', 'name': 'Islet Cells', 'label': 'Cell Type'},\n",
       "   {'id': 'UniProt:P01308', 'name': 'insulin', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D006943', 'name': 'Hyperglycemia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005913',\n",
       "    'target': 'UniProt:Q09428',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q09428', 'target': 'CL:0000169', 'key': 'LOCALIZED_TO'},\n",
       "   {'source': 'CL:0000169', 'target': 'UniProt:P01308', 'key': 'PRODUCES'},\n",
       "   {'source': 'UniProt:P01308', 'target': 'MESH:D006943', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'landiolol',\n",
       "   'disease': 'Tachyarrhythmia',\n",
       "   'drugbank': 'DB12212',\n",
       "   'drug_mesh': 'MESH:C077049',\n",
       "   'disease_mesh': 'MESH:D013610'},\n",
       "  'nodes': [{'id': 'MESH:C077049', 'name': 'landiolol', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P08588',\n",
       "    'name': 'Beta-1 adrenergic receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0045823',\n",
       "    'name': 'positive regulation of heart contraction',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D013610', 'name': 'Tachyarrhythmia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C077049',\n",
       "    'target': 'UniProt:P08588',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P08588', 'target': 'GO:0045823', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0045823', 'target': 'MESH:D013610', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'levocabastine',\n",
       "   'disease': 'Allergic conjunctivitis',\n",
       "   'drugbank': 'DB01106',\n",
       "   'drug_mesh': 'MESH:C047340',\n",
       "   'disease_mesh': 'MESH:D003233'},\n",
       "  'nodes': [{'id': 'MESH:C047340', 'name': 'levocabastine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35367',\n",
       "    'name': 'histamine H1 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0034776',\n",
       "    'name': 'response to histamine',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003233',\n",
       "    'name': 'Allergic conjunctivitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C047340',\n",
       "    'target': 'UniProt:P35367',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35367', 'target': 'GO:0034776', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0034776', 'target': 'MESH:D003233', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acenocoumarol',\n",
       "   'disease': 'Pulmonary Embolism',\n",
       "   'drugbank': 'DB01418',\n",
       "   'drug_mesh': 'MESH:D000074',\n",
       "   'disease_mesh': 'MESH:D011655'},\n",
       "  'nodes': [{'id': 'MESH:D000074', 'name': 'acenocoumarol', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q9BQB6', 'name': 'vitamin k reductase', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D014812',\n",
       "    'name': 'Reduced Vitamin k2 (vkH2)',\n",
       "    'label': 'Compound'},\n",
       "   {'id': 'GO:0007596',\n",
       "    'name': 'Clotting Factor Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D011655', 'name': 'Pulmonary Embolism', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000074',\n",
       "    'target': 'UniProt:Q9BQB6',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q9BQB6', 'target': 'MESH:D014812', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D014812', 'target': 'GO:0007596', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0007596',\n",
       "    'target': 'MESH:D011655',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'dexamethasone acetate',\n",
       "   'disease': 'Multiple meyloma',\n",
       "   'drugbank': 'DB14649',\n",
       "   'drug_mesh': 'MESH:C018038',\n",
       "   'disease_mesh': 'MESH:D009101'},\n",
       "  'nodes': [{'id': 'MESH:C018038',\n",
       "    'name': 'dexamethasone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'annexin A1', 'label': 'Protein'},\n",
       "   {'id': 'UniProt:P47712', 'name': 'Phospholipase a2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0019370',\n",
       "    'name': 'leukotriene biosysntesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D009101', 'name': 'Multiple meyloma', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C018038',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'UniProt:P47712',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P47712', 'target': 'GO:0019370', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0019370',\n",
       "    'target': 'MESH:D009101',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'mosapramine',\n",
       "   'disease': 'Schizophrenia',\n",
       "   'drugbank': 'DB13676',\n",
       "   'drug_mesh': 'MESH:C046384',\n",
       "   'disease_mesh': 'MESH:D012559'},\n",
       "  'nodes': [{'id': 'MESH:C046384', 'name': 'mosapramine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P14416',\n",
       "    'name': 'Dopamine receptor D2',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'REACT:R-HSA-390651',\n",
       "    'name': 'Dopamine pathway',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'MESH:D012559', 'name': 'Schizophrenia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C046384',\n",
       "    'target': 'UniProt:P14416',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P14416',\n",
       "    'target': 'REACT:R-HSA-390651',\n",
       "    'key': 'PART_OF'},\n",
       "   {'source': 'REACT:R-HSA-390651',\n",
       "    'target': 'MESH:D012559',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'thyrotropin alfa',\n",
       "   'disease': 'Thyroid cancer (Diagnostic)',\n",
       "   'drugbank': 'DB00024',\n",
       "   'drug_mesh': 'MESH:D057073',\n",
       "   'disease_mesh': 'MESH:D013964'},\n",
       "  'nodes': [{'id': 'MESH:D057073',\n",
       "    'name': 'thyrotropin alfa',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P16473',\n",
       "    'name': 'Thyrotropin receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UBERON:0002046', 'name': 'Thyroid', 'label': 'Anatomy'},\n",
       "   {'id': 'MESH:D013964',\n",
       "    'name': 'Thyroid cancer (Diagnostic)',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D057073',\n",
       "    'target': 'UniProt:P16473',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P16473',\n",
       "    'target': 'UBERON:0002046',\n",
       "    'key': 'LOCALIZED_TO'},\n",
       "   {'source': 'UBERON:0002046',\n",
       "    'target': 'MESH:D013964',\n",
       "    'key': 'LOCATION_OF'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'metolazone',\n",
       "   'disease': 'Hypertension',\n",
       "   'drugbank': 'DB00524',\n",
       "   'drug_mesh': 'MESH:D008788',\n",
       "   'disease_mesh': 'MESH:D006973'},\n",
       "  'nodes': [{'id': 'MESH:D008788', 'name': 'metolazone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P55017',\n",
       "    'name': 'Solute carrier family 12 member 3',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0055078',\n",
       "    'name': 'Sodium Ion Homeostasis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D006973', 'name': 'Hypertension', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D008788',\n",
       "    'target': 'UniProt:P55017',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P55017', 'target': 'GO:0055078', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0055078', 'target': 'MESH:D006973', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'sincalide',\n",
       "   'disease': 'GallBladder Diseases (Diagnostic)',\n",
       "   'drugbank': 'DB09142',\n",
       "   'drug_mesh': 'MESH:D012844',\n",
       "   'disease_mesh': 'MESH:D005705'},\n",
       "  'nodes': [{'id': 'MESH:D012844', 'name': 'sincalide', 'label': 'Drug'},\n",
       "   {'id': 'GO:0032782',\n",
       "    'name': 'Bile acid secretion',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D005705',\n",
       "    'name': 'Gallbladder Diseases (Diagnostic)',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D012844',\n",
       "    'target': 'GO:0032782',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'GO:0032782', 'target': 'MESH:D005705', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'gepirone',\n",
       "   'disease': 'Major depressive disorder',\n",
       "   'drugbank': 'DB12184',\n",
       "   'drug_mesh': 'MESH:C039979',\n",
       "   'disease_mesh': 'MESH:D003865'},\n",
       "  'nodes': [{'id': 'MESH:C039979', 'name': 'gepirone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P08908',\n",
       "    'name': '5-HT1a receptor (serotonin 1A)',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0050795',\n",
       "    'name': 'regulation of behavior',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003865',\n",
       "    'name': 'Major depressive disorder',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C039979',\n",
       "    'target': 'UniProt:P08908',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P08908', 'target': 'GO:0050795', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0050795', 'target': 'MESH:D003865', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'tramadol',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00193',\n",
       "   'drug_mesh': 'MESH:D014147',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D014147', 'name': 'tramadol', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35372',\n",
       "    'name': 'Mu-type opioid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0019233',\n",
       "    'name': 'sensory perception',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D014147',\n",
       "    'target': 'UniProt:P35372',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P35372',\n",
       "    'target': 'GO:0019233',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0019233', 'target': 'MESH:D010146', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'trimethadione',\n",
       "   'disease': 'Absence seizure',\n",
       "   'drugbank': 'DB00347',\n",
       "   'drug_mesh': 'MESH:D014293',\n",
       "   'disease_mesh': 'MESH:D004832'},\n",
       "  'nodes': [{'id': 'MESH:D014293', 'name': 'trimethadione', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:O43497',\n",
       "    'name': 'voltage dependent T-type calcium channel subunit alpha-1G',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0007268 ',\n",
       "    'name': 'corticothalamic transmission',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D004832', 'name': 'Absence seizure', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D014293',\n",
       "    'target': 'UniProt:O43497',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:O43497', 'target': 'GO:0007268 ', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0007268 ', 'target': 'MESH:D004832', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'apalutamide',\n",
       "   'disease': 'Nonmetastatic prostate cancer',\n",
       "   'drugbank': 'DB11901',\n",
       "   'drug_mesh': 'MESH:C572045',\n",
       "   'disease_mesh': 'MESH:D011471'},\n",
       "  'nodes': [{'id': 'MESH:C572045', 'name': 'apalutamide', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P10275', 'name': 'androgen receptor', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006351',\n",
       "    'name': 'gene transcription',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cell proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D011471',\n",
       "    'name': 'Nonmetastatic prostate cancer',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C572045',\n",
       "    'target': 'UniProt:P10275',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P10275', 'target': 'GO:0006351', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006351', 'target': 'GO:0008283', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D011471', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'asfotase alfa',\n",
       "   'disease': 'Hypophosphatasia',\n",
       "   'drugbank': 'DB09105',\n",
       "   'drug_mesh': 'MESH:C570710',\n",
       "   'disease_mesh': 'MESH:D007014'},\n",
       "  'nodes': [{'id': 'MESH:C570710', 'name': 'asfotase alfa', 'label': 'Drug'},\n",
       "   {'id': 'MESH:C107241',\n",
       "    'name': 'inorgainc pyrophosphate',\n",
       "    'label': 'Compound'},\n",
       "   {'id': 'GO:0030282',\n",
       "    'name': 'hydroxpatite crystal growth',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'HP:0004349',\n",
       "    'name': 'Reduced bone mineral density',\n",
       "    'label': 'Phenotype'},\n",
       "   {'id': 'MESH:D007014', 'name': 'Hypophosphatasia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C570710',\n",
       "    'target': 'MESH:C107241',\n",
       "    'key': 'REDUCES'},\n",
       "   {'source': 'MESH:C107241', 'target': 'GO:0030282', 'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0030282', 'target': 'HP:0004349', 'key': 'CAUSES'},\n",
       "   {'source': 'HP:0004349', 'target': 'MESH:D007014', 'key': 'PRESENTED_BY'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'aminoglutethimide',\n",
       "   'disease': 'Secondary malignant neoplasm of female breast ',\n",
       "   'drugbank': 'DB00357',\n",
       "   'drug_mesh': 'MESH:D000616',\n",
       "   'disease_mesh': 'MESH:D001943'},\n",
       "  'nodes': [{'id': 'MESH:D000616',\n",
       "    'name': 'aminoglutethimide',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P11511', 'name': 'aromatase', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D004967', 'name': 'estrogen', 'label': 'Compound'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cell proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D001943',\n",
       "    'name': 'Secondary malignant neoplasm of female breast',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000616',\n",
       "    'target': 'UniProt:P11511',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P11511', 'target': 'MESH:D004967', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D004967', 'target': 'GO:0008283', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D001943', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ganirelix',\n",
       "   'disease': 'Ovulation induction',\n",
       "   'drugbank': 'DB06785',\n",
       "   'drug_mesh': 'MESH:C061018',\n",
       "   'disease_mesh': 'MESH:D010062'},\n",
       "  'nodes': [{'id': 'MESH:C061018', 'name': 'ganirelix', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P30968', 'name': 'GnRH receptor', 'label': 'Protein'},\n",
       "   {'id': 'UBERON:0000007', 'name': 'pituitary gland', 'label': 'Anatomy'},\n",
       "   {'id': 'InterPro:IPR000476',\n",
       "    'name': 'gonadotropins',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'MESH:D010062', 'name': 'Ovulation induction', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C061018',\n",
       "    'target': 'UniProt:P30968',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P30968',\n",
       "    'target': 'UBERON:0000007',\n",
       "    'key': 'LOCALIZED_TO'},\n",
       "   {'source': 'UBERON:0000007',\n",
       "    'target': 'InterPro:IPR000476',\n",
       "    'key': 'PRODUCES'},\n",
       "   {'source': 'InterPro:IPR000476',\n",
       "    'target': 'MESH:D010062',\n",
       "    'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'glutamine',\n",
       "   'disease': 'Short bowel syndrome',\n",
       "   'drugbank': 'DB00130',\n",
       "   'drug_mesh': 'MESH:D005973',\n",
       "   'disease_mesh': 'MESH:D012778'},\n",
       "  'nodes': [{'id': 'MESH:D005973', 'name': 'glutamine', 'label': 'Drug'},\n",
       "   {'id': 'CL:0000584', 'name': 'enterocytes', 'label': 'Cell Type'},\n",
       "   {'id': 'GO:0050892',\n",
       "    'name': 'intestinal nutrient absorption',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012778', 'name': 'Short bowel syndrome', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005973',\n",
       "    'target': 'CL:0000584',\n",
       "    'key': 'STIMULATES'},\n",
       "   {'source': 'CL:0000584', 'target': 'GO:0050892', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0050892', 'target': 'MESH:D012778', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'anastrozole',\n",
       "   'disease': 'Hormone receptor positive malignant neoplasm of breast',\n",
       "   'drugbank': 'DB01217',\n",
       "   'drug_mesh': 'MESH:D000077384',\n",
       "   'disease_mesh': 'MESH:D001943'},\n",
       "  'nodes': [{'id': 'MESH:D000077384', 'name': 'anastrozole', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P11511', 'name': 'aromatase', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D004967', 'name': 'estrogen', 'label': 'Compound'},\n",
       "   {'id': 'GO:0030284',\n",
       "    'name': 'esterogne receptor activity',\n",
       "    'label': 'Molecular Function'},\n",
       "   {'id': 'MESH:D001943',\n",
       "    'name': 'Hormone receptor positive malignant neoplasm of breast',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000077384',\n",
       "    'target': 'UniProt:P11511',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P11511', 'target': 'MESH:D004967', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D004967', 'target': 'GO:0030284', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0030284',\n",
       "    'target': 'MESH:D001943',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'hemin',\n",
       "   'disease': 'Acute intermittent porphyria',\n",
       "   'drugbank': 'DB03404',\n",
       "   'drug_mesh': 'MESH:D006427',\n",
       "   'disease_mesh': 'MESH:D017118'},\n",
       "  'nodes': [{'id': 'MESH:D006427', 'name': 'hemin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P13196',\n",
       "    'name': 'Aminolevulinic acid synthase',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'REACT:R-HSA-189451',\n",
       "    'name': 'Heme biosynthesis',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'MESH:D011162', 'name': 'porpholobilinogen', 'label': 'Compound'},\n",
       "   {'id': 'MESH:D017118',\n",
       "    'name': 'Acute intermittent porphyria',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D006427',\n",
       "    'target': 'UniProt:P13196',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P13196',\n",
       "    'target': 'REACT:R-HSA-189451',\n",
       "    'key': 'PART_OF'},\n",
       "   {'source': 'REACT:R-HSA-189451',\n",
       "    'target': 'MESH:D011162',\n",
       "    'key': 'HAS_PART'},\n",
       "   {'source': 'MESH:D011162',\n",
       "    'target': 'MESH:D017118',\n",
       "    'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'etizolam',\n",
       "   'disease': 'Anxiety disorders',\n",
       "   'drugbank': 'DB09166',\n",
       "   'drug_mesh': 'MESH:C044610',\n",
       "   'disease_mesh': 'MESH:D001008'},\n",
       "  'nodes': [{'id': 'MESH:C044610', 'name': 'etizolam', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P14867',\n",
       "    'name': 'GABA-A receptor alpha 1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0022851',\n",
       "    'name': 'GABA-A receptor activity',\n",
       "    'label': 'Molecular Function'},\n",
       "   {'id': 'MESH:D001008', 'name': 'Anxiety disorders', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C044610',\n",
       "    'target': 'UniProt:P14867',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P14867', 'target': 'GO:0022851', 'key': 'HAS_FUNCTION'},\n",
       "   {'source': 'GO:0022851',\n",
       "    'target': 'MESH:D001008',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'chloramphenicol succinate',\n",
       "   'disease': 'Typhoid fever ',\n",
       "   'drugbank': 'DB07565',\n",
       "   'drug_mesh': 'MESH:C026016',\n",
       "   'disease_mesh': 'MESH:D014435'},\n",
       "  'nodes': [{'id': 'MESH:C026016',\n",
       "    'name': 'chloramphenicol succinate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0A298',\n",
       "    'name': '50S ribosomal subunit',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Protein Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:90370', 'name': 'Salmonella typhi', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D014435', 'name': 'Typhoid fever', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C026016',\n",
       "    'target': 'UniProt:P0A298',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0A298', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412',\n",
       "    'target': 'NCBITaxon:90370',\n",
       "    'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:90370', 'target': 'MESH:D014435', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'allantoin',\n",
       "   'disease': 'Seborrheic dermatitis',\n",
       "   'drugbank': 'DB11100',\n",
       "   'drug_mesh': 'MESH:D000481',\n",
       "   'disease_mesh': 'MESH:D012628'},\n",
       "  'nodes': [{'id': 'MESH:D000481', 'name': 'allantoin', 'label': 'Drug'},\n",
       "   {'id': 'GO:0042060',\n",
       "    'name': 'fibroblast proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012628',\n",
       "    'name': 'Seborrheic dermatitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000481',\n",
       "    'target': 'GO:0042060',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'GO:0042060', 'target': 'MESH:D012628', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'epoetin theta',\n",
       "   'disease': 'Anemia',\n",
       "   'drugbank': 'DB00016',\n",
       "   'drug_mesh': 'MESH:C555712',\n",
       "   'disease_mesh': 'MESH:D000740'},\n",
       "  'nodes': [{'id': 'MESH:C555712', 'name': 'epoetin theta', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P19235',\n",
       "    'name': 'erythropoietin receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0030218',\n",
       "    'name': 'erythrocyte differentiation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'CL:0000232', 'name': 'erythrocytes', 'label': 'Cell Type'},\n",
       "   {'id': 'MESH:D000740', 'name': 'Anemia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C555712',\n",
       "    'target': 'UniProt:P19235',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P19235', 'target': 'GO:0030218', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0030218', 'target': 'CL:0000232', 'key': 'PRODUCES'},\n",
       "   {'source': 'CL:0000232', 'target': 'MESH:D000740', 'key': 'REDUCED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'sulfasalazine',\n",
       "   'disease': 'Ulcerative Colitis',\n",
       "   'drugbank': 'DB00795',\n",
       "   'drug_mesh': 'MESH:D012460',\n",
       "   'disease_mesh': 'MESH:D003093'},\n",
       "  'nodes': [{'id': 'MESH:D012460', 'name': 'sulfasalazine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P09917',\n",
       "    'name': 'Arachidonate 5-lipoxygenase',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0019370',\n",
       "    'name': 'leukotriene biosynthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0006954',\n",
       "    'name': 'inflammatory response',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003093', 'name': 'Ulcerative Colitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D012460',\n",
       "    'target': 'UniProt:P09917',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P09917', 'target': 'GO:0019370', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0019370', 'target': 'GO:0006954', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D003093', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'foscarnet',\n",
       "   'disease': 'Cytomegalovirus Retinitis',\n",
       "   'drugbank': 'DB00529',\n",
       "   'drug_mesh': 'MESH:D017245',\n",
       "   'disease_mesh': 'MESH:D017726'},\n",
       "  'nodes': [{'id': 'MESH:D017245', 'name': 'foscarnet', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P08546',\n",
       "    'name': 'viral DNA Polymerase',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0039693',\n",
       "    'name': 'viral DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:10358', 'name': 'Cytomegalovirus', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D017726',\n",
       "    'name': 'Cytomegalovirus Retinitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D017245',\n",
       "    'target': 'UniProt:P08546',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P08546', 'target': 'GO:0039693', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0039693',\n",
       "    'target': 'NCBITaxon:10358',\n",
       "    'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:10358', 'target': 'MESH:D017726', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'chlorhexidine',\n",
       "   'disease': 'periodontitis',\n",
       "   'drugbank': 'DB00878',\n",
       "   'drug_mesh': 'MESH:D002710',\n",
       "   'disease_mesh': 'MESH:D010518'},\n",
       "  'nodes': [{'id': 'MESH:D002710', 'name': 'chlorhexidine', 'label': 'Drug'},\n",
       "   {'id': 'GO:0009274',\n",
       "    'name': 'Bacterial Cell Wall',\n",
       "    'label': 'Cellular Component'},\n",
       "   {'id': 'NCBITaxon:837',\n",
       "    'name': 'Porphyromonas gingivalis',\n",
       "    'label': 'Taxon'},\n",
       "   {'id': 'MESH:D010518', 'name': 'periodontitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D002710',\n",
       "    'target': 'GO:0009274',\n",
       "    'key': 'DISRUPTS'},\n",
       "   {'source': 'GO:0009274', 'target': 'NCBITaxon:837', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:837', 'target': 'MESH:D010518', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'pegaspargase',\n",
       "   'disease': 'Acute lymphoblastic leukemia',\n",
       "   'drugbank': 'DB00059',\n",
       "   'drug_mesh': 'MESH:C042705',\n",
       "   'disease_mesh': 'MESH:D054198'},\n",
       "  'nodes': [{'id': 'MESH:C042705', 'name': 'pegaspargase', 'label': 'Drug'},\n",
       "   {'id': 'MESH:D001216',\n",
       "    'name': 'extracellular asparagine',\n",
       "    'label': 'Compound'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'cellular proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D054198',\n",
       "    'name': 'Acute lymphoblastic leukemia',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C042705',\n",
       "    'target': 'MESH:D001216',\n",
       "    'key': 'REDUCES'},\n",
       "   {'source': 'MESH:D001216', 'target': 'GO:0008283', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D054198', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'rifapentine',\n",
       "   'disease': 'Pulmonary tuberculosis',\n",
       "   'drugbank': 'DB01201',\n",
       "   'drug_mesh': 'MESH:C018421',\n",
       "   'disease_mesh': 'MESH:D014397'},\n",
       "  'nodes': [{'id': 'MESH:C018421', 'name': 'rifapentine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P9WGY7',\n",
       "    'name': 'DNA-directed RNA polymerase subunit beta',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0032774',\n",
       "    'name': 'RNA synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1773',\n",
       "    'name': 'Mycobacterium tuberculosis infection',\n",
       "    'label': 'Taxon'},\n",
       "   {'id': 'MESH:D014397',\n",
       "    'name': 'Pulmonary tuberculosis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C018421',\n",
       "    'target': 'UniProt:P9WGY7',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P9WGY7', 'target': 'GO:0032774', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0032774', 'target': 'NCBITaxon:1773', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1773', 'target': 'MESH:D014397', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'trichloroacetic acid',\n",
       "   'disease': 'Condyloma acuminatum',\n",
       "   'drugbank': 'DB11152',\n",
       "   'drug_mesh': 'MESH:D014238',\n",
       "   'disease_mesh': 'MESH:D003218'},\n",
       "  'nodes': [{'id': 'MESH:D014238',\n",
       "    'name': 'trichloroacetic acid',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'GO:0070265',\n",
       "    'name': 'necrotic cell death',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003218', 'name': 'Condyloma acuminatum', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D014238',\n",
       "    'target': 'GO:0070265',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'GO:0070265', 'target': 'MESH:D003218', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'vinpocetine',\n",
       "   'disease': 'Dementia',\n",
       "   'drugbank': 'DB12131',\n",
       "   'drug_mesh': 'MESH:C013983',\n",
       "   'disease_mesh': 'MESH:D003704'},\n",
       "  'nodes': [{'id': 'MESH:C013983', 'name': 'vinpocetine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P54750',\n",
       "    'name': \"Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A\",\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0043025',\n",
       "    'name': 'Neuronal Cell Body',\n",
       "    'label': 'Cellular Component'},\n",
       "   {'id': 'MESH:D003704', 'name': 'Dementia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C013983',\n",
       "    'target': 'UniProt:P54750',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P54750', 'target': 'GO:0043025', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0043025',\n",
       "    'target': 'MESH:D003704',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'calcium glubionate',\n",
       "   'disease': 'Hypocalcemia',\n",
       "   'drugbank': 'DB13142',\n",
       "   'drug_mesh': 'MESH:C042131',\n",
       "   'disease_mesh': 'MESH:D006996'},\n",
       "  'nodes': [{'id': 'MESH:C042131',\n",
       "    'name': 'calcium glubionate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'MESH:D002118', 'name': 'Calcium Ion', 'label': 'Compound'},\n",
       "   {'id': 'MESH:D006996', 'name': 'Hypocalcemia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C042131',\n",
       "    'target': 'MESH:D002118',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'MESH:D002118', 'target': 'MESH:D006996', 'key': 'REDUCED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'glutethimide',\n",
       "   'disease': 'Insomnia',\n",
       "   'drugbank': 'DB01437',\n",
       "   'drug_mesh': 'MESH:D005984',\n",
       "   'disease_mesh': 'MESH:D007319'},\n",
       "  'nodes': [{'id': 'MESH:D005984', 'name': 'glutethimide', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P14867',\n",
       "    'name': 'Gamma-aminobutyric acid receptor subunit alpha-1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:1904862',\n",
       "    'name': 'inhibitory synapse assembly',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007319', 'name': 'Insomnia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005984',\n",
       "    'target': 'UniProt:P14867',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P14867', 'target': 'GO:1904862', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:1904862',\n",
       "    'target': 'MESH:D007319',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'fomepizole',\n",
       "   'disease': 'Methanol poisoning',\n",
       "   'drugbank': 'DB01213',\n",
       "   'drug_mesh': 'MESH:D000077604',\n",
       "   'disease_mesh': 'MESH:D000138'},\n",
       "  'nodes': [{'id': 'MESH:D000077604', 'name': 'fomepizole', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P07327',\n",
       "    'name': 'Alcohol dehydrogenase 1A',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'REACT:R-HSA-71384',\n",
       "    'name': 'Ethanol oxidation',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'MESH:C030544', 'name': 'formic acid', 'label': 'Compound'},\n",
       "   {'id': 'MESH:D000138', 'name': 'Methanol poisoning', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000077604',\n",
       "    'target': 'UniProt:P07327',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P07327',\n",
       "    'target': 'REACT:R-HSA-71384',\n",
       "    'key': 'PART_OF'},\n",
       "   {'source': 'REACT:R-HSA-71384',\n",
       "    'target': 'MESH:C030544',\n",
       "    'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:C030544', 'target': 'MESH:D000138', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'afamelanotide',\n",
       "   'disease': 'erythropoietic protoporphyria',\n",
       "   'drugbank': 'DB04931',\n",
       "   'drug_mesh': 'MESH:C534526',\n",
       "   'disease_mesh': 'MESH:D046351'},\n",
       "  'nodes': [{'id': 'MESH:C534526', 'name': 'afamelanotide', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q01726',\n",
       "    'name': 'Melanocyte-stimulating hormone receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0042438',\n",
       "    'name': 'melanogenesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:C041877', 'name': 'eumelanin', 'label': 'Compound'},\n",
       "   {'id': 'GO:0009650',\n",
       "    'name': 'UV protection',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'CHEBI:26523',\n",
       "    'name': 'reative oxygen species',\n",
       "    'label': 'Compound Class'},\n",
       "   {'id': 'MESH:C028025', 'name': 'protoporphyrin IX', 'label': 'Compound'},\n",
       "   {'id': 'MESH:D046351',\n",
       "    'name': 'erythropoietic protoporphyria',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C534526',\n",
       "    'target': 'UniProt:Q01726',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:Q01726', 'target': 'GO:0042438', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0042438', 'target': 'MESH:C041877', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'MESH:C041877', 'target': 'GO:0009650', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0009650', 'target': 'CHEBI:26523', 'key': 'REDUCES'},\n",
       "   {'source': 'CHEBI:26523', 'target': 'MESH:C028025', 'key': 'INCREASED_BY'},\n",
       "   {'source': 'MESH:C028025',\n",
       "    'target': 'MESH:D046351',\n",
       "    'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'voclosporin',\n",
       "   'disease': 'Noninfectious Uveitis',\n",
       "   'drugbank': 'DB11693',\n",
       "   'drug_mesh': 'MESH:C484071',\n",
       "   'disease_mesh': 'MESH:D014605'},\n",
       "  'nodes': [{'id': 'MESH:C484071', 'name': 'voclosporin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P63098',\n",
       "    'name': 'Calcineurin subunit B type 1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:O95644',\n",
       "    'name': 'Nuclear factor of activated T-cells, cytoplasmic 1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P60568', 'name': 'interleukin 2', 'label': 'Protein'},\n",
       "   {'id': 'CL:0000084', 'name': 'T-Cell', 'label': 'Cell Type'},\n",
       "   {'id': 'MESH:D014605',\n",
       "    'name': 'Noninfectious Uveitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C484071',\n",
       "    'target': 'UniProt:P63098',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P63098',\n",
       "    'target': 'UniProt:O95644',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:O95644',\n",
       "    'target': 'UniProt:P60568',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:P60568', 'target': 'CL:0000084', 'key': 'STIMULATES'},\n",
       "   {'source': 'CL:0000084', 'target': 'MESH:D014605', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acrisorcin',\n",
       "   'disease': 'Pityriasis versicolor',\n",
       "   'drugbank': ', DB11254',\n",
       "   'drug_mesh': 'MESH:D000585, MESH:D006604',\n",
       "   'disease_mesh': 'MESH:D014010'},\n",
       "  'nodes': [{'id': 'MESH:D000585, MESH:D006604',\n",
       "    'name': 'acrisorcin',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'MESH:D014010',\n",
       "    'name': 'Pityriasis versicolor',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000585, MESH:D006604',\n",
       "    'target': 'MESH:D014010',\n",
       "    'key': 'TREATS'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ivermectin',\n",
       "   'disease': 'Onchocerciasis',\n",
       "   'drugbank': 'DB00602',\n",
       "   'drug_mesh': 'MESH:D007559',\n",
       "   'disease_mesh': 'MESH:D009855'},\n",
       "  'nodes': [{'id': 'MESH:D007559', 'name': 'ivermectin', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR015680',\n",
       "    'name': 'glutimate-gated chloride channels',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'CHEBI:17996', 'name': 'chloride ion', 'label': 'Compound'},\n",
       "   {'id': 'GO:0060081',\n",
       "    'name': 'membrane hyperpolarization',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D010243', 'name': 'Paralysis', 'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:6282', 'name': 'Onchocerca volvulus', 'label': 'Disease'},\n",
       "   {'id': 'MESH:D009855', 'name': 'Onchocerciasis', 'label': None}],\n",
       "  'links': [{'source': 'MESH:D007559',\n",
       "    'target': 'InterPro:IPR015680',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'InterPro:IPR015680',\n",
       "    'target': 'CHEBI:17996',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'CHEBI:17996', 'target': 'GO:0060081', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0060081', 'target': 'MESH:D010243', 'key': 'CAUSES'},\n",
       "   {'source': 'MESH:D010243', 'target': 'NCBITaxon:6282', 'key': 'REDUCES'},\n",
       "   {'source': 'NCBITaxon:6282', 'target': 'MESH:D009855', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cobicistat',\n",
       "   'disease': 'HIV infection',\n",
       "   'drugbank': 'DB09065',\n",
       "   'drug_mesh': 'MESH:D000069547',\n",
       "   'disease_mesh': 'MESH:D015658'},\n",
       "  'nodes': [{'id': 'MESH:D000069547', 'name': 'cobicistat', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q9HB55',\n",
       "    'name': 'cytochrome P450 3A (CYP3A) isoforms',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'MESH:D000069446', 'name': 'atazanavir', 'label': 'Compound'},\n",
       "   {'id': 'UniProt:P04585', 'name': 'Gag-Pol polyprotein', 'label': 'Protein'},\n",
       "   {'id': 'GO:0019068',\n",
       "    'name': 'Viral Assembly',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D015658', 'name': 'HIV infection', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000069547',\n",
       "    'target': 'UniProt:Q9HB55',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q9HB55', 'target': 'MESH:D000069446', 'key': 'REDUCES'},\n",
       "   {'source': 'MESH:D000069446',\n",
       "    'target': 'UniProt:P04585',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P04585', 'target': 'GO:0019068', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0019068', 'target': 'MESH:D015658', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'avelumab',\n",
       "   'disease': 'Merkel cell carcinoma',\n",
       "   'drugbank': 'DB11945',\n",
       "   'drug_mesh': 'MESH:C000609138',\n",
       "   'disease_mesh': 'MESH:D015266'},\n",
       "  'nodes': [{'id': 'MESH:C000609138', 'name': 'avelumab', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q9NZQ7',\n",
       "    'name': 'Programmed cell death 1 ligand 1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0036037',\n",
       "    'name': 'Cytotoxic T-Cell activity',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cell proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D015266',\n",
       "    'name': 'Merkel cell carcinoma',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C000609138',\n",
       "    'target': 'UniProt:Q9NZQ7',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q9NZQ7',\n",
       "    'target': 'GO:0036037',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0036037', 'target': 'GO:0008283', 'key': 'REDUCES'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D015266', 'key': 'ELEVATED_IN'}]}]"
      ]
     },
     "execution_count": 11,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "data_json"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 12,
   "id": "c0944d66",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "True"
      ]
     },
     "execution_count": 12,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(data_json) == len(paths)"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "6a587655",
   "metadata": {},
   "source": [
    "Let's take a look at an example path:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 13,
   "id": "94a9415f",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'directed': True,\n",
       " 'multigraph': True,\n",
       " 'graph': {'drug': 'imatinib',\n",
       "  'disease': 'Systemic mast cell disease',\n",
       "  'drugbank': 'DB00619',\n",
       "  'drug_mesh': 'MESH:D000068877',\n",
       "  'disease_mesh': 'MESH:D034721'},\n",
       " 'nodes': [{'id': 'MESH:D000068877', 'name': 'imatinib', 'label': 'Drug'},\n",
       "  {'id': 'UniProt:P10721', 'name': 'c-Kit', 'label': 'Protein'},\n",
       "  {'id': 'GO:0008283',\n",
       "   'name': 'Cellular proliferation',\n",
       "   'label': 'Biological Process'},\n",
       "  {'id': 'MESH:D034721',\n",
       "   'name': 'Systemic mast cell disease',\n",
       "   'label': 'Disease'}],\n",
       " 'links': [{'source': 'MESH:D000068877',\n",
       "   'target': 'UniProt:P10721',\n",
       "   'key': 'INHIBITS'},\n",
       "  {'source': 'UniProt:P10721', 'target': 'GO:0008283', 'key': 'UP_REGULATES'},\n",
       "  {'source': 'GO:0008283', 'target': 'MESH:D034721', 'key': 'CAUSES'}]}"
      ]
     },
     "execution_count": 13,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "data_json[1]"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "c52ae634",
   "metadata": {},
   "source": [
    "We can get the number of nodes involved:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 14,
   "id": "3f163527",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "4"
      ]
     },
     "execution_count": 14,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(data_json[1]['nodes'])"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "bed10982",
   "metadata": {},
   "source": [
    "... and using that, get the second-to-last node (the last is always a disease)."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 15,
   "id": "528a1850",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'id': 'GO:0008283',\n",
       " 'name': 'Cellular proliferation',\n",
       " 'label': 'Biological Process'}"
      ]
     },
     "execution_count": 15,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "data_json[1]['nodes'][len(data_json[1]['nodes']) - 2]"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "dd42c3b9",
   "metadata": {},
   "source": [
    "Cool, let's create a new object containing only those which end in a BP node.\n",
    "\n",
    "Let's also get all the unique BPs involved:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 16,
   "id": "58d0907b",
   "metadata": {},
   "outputs": [],
   "source": [
    "bp_paths = []\n",
    "bp_path_lengths = []\n",
    "bps = set()\n",
    "for path in data_json:\n",
    "    # if second to last node is BP,\n",
    "    if path['nodes'][len(path['nodes']) - 2]['label'] == 'Biological Process':\n",
    "        bp_paths.append(path)\n",
    "        bp_path_lengths.append(len(path['links']) - 1)\n",
    "        bps.add(path['nodes'][len(path['nodes']) - 2]['id'])"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "a9caba85",
   "metadata": {},
   "source": [
    "How many of the 162 paths end in a BP?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 17,
   "id": "b0cccba9",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "62"
      ]
     },
     "execution_count": 17,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(bp_paths)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 18,
   "id": "77eade67",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Counter({2: 25, 3: 24, 4: 7, 1: 6})"
      ]
     },
     "execution_count": 18,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Counter(bp_path_lengths)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 19,
   "id": "c3f491b6",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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",
      "text/plain": [
       "<Figure size 750x350 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "bpath_lens = Counter(bp_path_lengths)\n",
    "\n",
    "plt.rcParams[\"figure.figsize\"] = [7.50, 3.50]\n",
    "plt.rcParams[\"figure.autolayout\"] = True\n",
    "\n",
    "plt.bar(bpath_lens.keys(), bpath_lens.values())\n",
    "\n",
    "plt.show()"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "19099024",
   "metadata": {},
   "source": [
    "Now, it also looks like no paths ending in BP are longer than 5 edges.\n",
    "\n",
    "How many unique BPs act as sink nodes here?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 20,
   "id": "102a75f8",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "34"
      ]
     },
     "execution_count": 20,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(bps)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 21,
   "id": "f4ae6022",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'directed': True,\n",
       " 'multigraph': True,\n",
       " 'graph': {'drug': 'imatinib',\n",
       "  'disease': 'Systemic mast cell disease',\n",
       "  'drugbank': 'DB00619',\n",
       "  'drug_mesh': 'MESH:D000068877',\n",
       "  'disease_mesh': 'MESH:D034721'},\n",
       " 'nodes': [{'id': 'MESH:D000068877', 'name': 'imatinib', 'label': 'Drug'},\n",
       "  {'id': 'UniProt:P10721', 'name': 'c-Kit', 'label': 'Protein'},\n",
       "  {'id': 'GO:0008283',\n",
       "   'name': 'Cellular proliferation',\n",
       "   'label': 'Biological Process'},\n",
       "  {'id': 'MESH:D034721',\n",
       "   'name': 'Systemic mast cell disease',\n",
       "   'label': 'Disease'}],\n",
       " 'links': [{'source': 'MESH:D000068877',\n",
       "   'target': 'UniProt:P10721',\n",
       "   'key': 'INHIBITS'},\n",
       "  {'source': 'UniProt:P10721', 'target': 'GO:0008283', 'key': 'UP_REGULATES'},\n",
       "  {'source': 'GO:0008283', 'target': 'MESH:D034721', 'key': 'CAUSES'}]}"
      ]
     },
     "execution_count": 21,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "bp_paths[0]"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "d6d52f3f",
   "metadata": {},
   "source": [
    "**It is worth noting that there are lots of non-drug compounds in here, such as carbovir triphosphate and prostaglandins, which act as middle players in the paths.**"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "7c4b6730",
   "metadata": {},
   "source": [
    "What about any path in general which contains a BP?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 22,
   "id": "68e47dde",
   "metadata": {},
   "outputs": [],
   "source": [
    "bp_paths = []\n",
    "bp_path_lengths = []\n",
    "bps = set()\n",
    "for path in data_json:\n",
    "    for count, node in enumerate(path['nodes']):\n",
    "    # if any node is BP,\n",
    "        if node['label'] == 'Biological Process':\n",
    "            bp_paths.append(path)\n",
    "            bp_path_lengths.append(count)\n",
    "            bps.add(path['nodes'][count]['id'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 23,
   "id": "fb6a109d",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "100"
      ]
     },
     "execution_count": 23,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(bp_paths)"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "c031c315",
   "metadata": {},
   "source": [
    "We have a lot more if we include BPs in the middle."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 24,
   "id": "614acb4f",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Counter({2: 60, 3: 25, 4: 9, 1: 6})"
      ]
     },
     "execution_count": 24,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Counter(bp_path_lengths)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 25,
   "id": "ead590f0",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "image/png": "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",
      "text/plain": [
       "<Figure size 750x350 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "bpath_lens = Counter(bp_path_lengths)\n",
    "\n",
    "plt.rcParams[\"figure.figsize\"] = [7.50, 3.50]\n",
    "plt.rcParams[\"figure.autolayout\"] = True\n",
    "\n",
    "plt.bar(bpath_lens.keys(), bpath_lens.values())\n",
    "\n",
    "plt.show()"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "fcaa0062",
   "metadata": {},
   "source": [
    "Now, we have a lot more 2-hop mechanisms. These are most likely drug-protein-BP paths.\n",
    "\n",
    "Also worth noting that 5 of these seem to act directly."
   ]
  },
  {
   "cell_type": "markdown",
   "id": "2cc8135b",
   "metadata": {},
   "source": [
    "## Extracting MOAs for Result Validation\n",
    "\n",
    "Here, we get these MOAs synchronized with the IDs used in our KG, and then we save them in a file for easy comparison against test results.\n",
    "\n",
    "First, in the `preprocess_drugmechdb` notebook, we've seen that some of the identifiers need to map to others. We'll use the files which were prepared there to do easy mapping here."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "id": "cdf3b523",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[{'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'imatinib',\n",
       "   'disease': 'Systemic mast cell disease',\n",
       "   'drugbank': 'DB00619',\n",
       "   'drug_mesh': 'MESH:D000068877',\n",
       "   'disease_mesh': 'MESH:D034721'},\n",
       "  'nodes': [{'id': 'MESH:D000068877', 'name': 'imatinib', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P10721', 'name': 'c-Kit', 'label': 'Protein'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cellular proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D034721',\n",
       "    'name': 'Systemic mast cell disease',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068877',\n",
       "    'target': 'UniProt:P10721',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P10721', 'target': 'GO:0008283', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D034721', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'imatinib',\n",
       "   'disease': 'Systemic mast cell disease',\n",
       "   'drugbank': 'DB00619',\n",
       "   'drug_mesh': 'MESH:D000068877',\n",
       "   'disease_mesh': 'MESH:D034721'},\n",
       "  'nodes': [{'id': 'MESH:D000068877', 'name': 'imatinib', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P16234', 'name': 'Pdgf', 'label': 'Protein'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cellular proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D034721',\n",
       "    'name': 'Systemic mast cell disease',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068877',\n",
       "    'target': 'UniProt:P16234',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P16234', 'target': 'GO:0008283', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D034721', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acetaminophen',\n",
       "   'disease': 'Fever',\n",
       "   'drugbank': 'DB00316',\n",
       "   'drug_mesh': 'MESH:D000082',\n",
       "   'disease_mesh': 'MESH:D005334'},\n",
       "  'nodes': [{'id': 'MESH:D000082', 'name': 'acetaminophen', 'label': 'Drug'},\n",
       "   {'id': 'REACT:R-HSA-2162123',\n",
       "    'name': 'cycloxygenaze pathways',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'UBERON:0000955', 'name': 'Brain', 'label': 'Anatomy'},\n",
       "   {'id': 'GO:0001659',\n",
       "    'name': 'Temperature Homeostasis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D005334', 'name': 'Fever', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000082',\n",
       "    'target': 'REACT:R-HSA-2162123',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'REACT:R-HSA-2162123',\n",
       "    'target': 'UBERON:0000955',\n",
       "    'key': 'LOCALIZED_TO'},\n",
       "   {'source': 'UBERON:0000955', 'target': 'GO:0001659', 'key': 'REGULATES'},\n",
       "   {'source': 'GO:0001659', 'target': 'MESH:D005334', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acetylsalicylic acid',\n",
       "   'disease': 'Thrombosis',\n",
       "   'drugbank': 'DB00945',\n",
       "   'drug_mesh': 'MESH:D001241',\n",
       "   'disease_mesh': 'MESH:D013927'},\n",
       "  'nodes': [{'id': 'MESH:D001241',\n",
       "    'name': 'acetylsalicylic acid',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23219', 'name': 'COX', 'label': 'Protein'},\n",
       "   {'id': 'REACT:R-HSA-2162123',\n",
       "    'name': 'Synthesis of Prostaglandins and Thromboxanes',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'MESH:D013928', 'name': 'Thromboxane A2', 'label': 'Compound'},\n",
       "   {'id': 'GO:0007596',\n",
       "    'name': 'Platelet Activiation / Blood Coagulation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D013927', 'name': 'Thrombosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D001241',\n",
       "    'target': 'UniProt:P23219',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P23219',\n",
       "    'target': 'REACT:R-HSA-2162123',\n",
       "    'key': 'PART_OF'},\n",
       "   {'source': 'REACT:R-HSA-2162123',\n",
       "    'target': 'MESH:D013928',\n",
       "    'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D013928', 'target': 'GO:0007596', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0007596', 'target': 'MESH:D013927', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acetylsalicylic acid',\n",
       "   'disease': 'Thrombosis',\n",
       "   'drugbank': 'DB00945',\n",
       "   'drug_mesh': 'MESH:D001241',\n",
       "   'disease_mesh': 'MESH:D013927'},\n",
       "  'nodes': [{'id': 'MESH:D001241',\n",
       "    'name': 'acetylsalicylic acid',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23219', 'name': 'COX', 'label': 'Protein'},\n",
       "   {'id': 'GO:0007596',\n",
       "    'name': 'Blood Coagulation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D013927', 'name': 'Thrombosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D001241',\n",
       "    'target': 'UniProt:P23219',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P23219', 'target': 'GO:0007596', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0007596', 'target': 'MESH:D013927', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'naproxen',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00788',\n",
       "   'drug_mesh': 'MESH:D009288',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D009288', 'name': 'naproxen', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35354', 'name': 'Cox-2', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D011453', 'name': 'Prostaglandins', 'label': 'Compound Class'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009288',\n",
       "    'target': 'UniProt:P35354',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35354', 'target': 'MESH:D011453', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D011453', 'target': 'GO:0006954', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D010146', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'norfloxacin',\n",
       "   'disease': 'Shigellosis',\n",
       "   'drugbank': 'DB01059',\n",
       "   'drug_mesh': 'MESH:D009643',\n",
       "   'disease_mesh': 'MESH:D004405'},\n",
       "  'nodes': [{'id': 'MESH:D009643', 'name': 'norfloxacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P43702',\n",
       "    'name': 'topoisomerases II, IV',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006260',\n",
       "    'name': 'Bactierial DNA Replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:622', 'name': 'Shigella dysenteriae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D004405', 'name': 'Shigellosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009643',\n",
       "    'target': 'UniProt:P43702',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P43702', 'target': 'GO:0006260', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006260', 'target': 'NCBITaxon:622', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:622', 'target': 'MESH:D004405', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'norfloxacin',\n",
       "   'disease': 'Shigellosis',\n",
       "   'drugbank': 'DB01059',\n",
       "   'drug_mesh': 'MESH:D009643',\n",
       "   'disease_mesh': 'MESH:D004405'},\n",
       "  'nodes': [{'id': 'MESH:D009643', 'name': 'norfloxacin', 'label': 'Drug'},\n",
       "   {'id': 'GO:0003746',\n",
       "    'name': 'Translocation of EF-G',\n",
       "    'label': 'Molecular Function'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Protein Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:622', 'name': 'Shigella dysenteriae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D004405', 'name': 'Shigellosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009643',\n",
       "    'target': 'GO:0003746',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'GO:0003746', 'target': 'GO:0006412', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:622', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:622', 'target': 'MESH:D004405', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cortisone acetate',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB01380',\n",
       "   'drug_mesh': 'MESH:D003348',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D003348',\n",
       "    'name': 'cortisone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'lipocortin-1', 'label': 'Protein'},\n",
       "   {'id': 'REACT:R-HSA-2162123',\n",
       "    'name': 'Prostaglandin Synthesis',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003348',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'INCREASES_EXPRESSION'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'REACT:R-HSA-2162123',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'REACT:R-HSA-2162123',\n",
       "    'target': 'GO:0006954',\n",
       "    'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cortisone acetate',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB01380',\n",
       "   'drug_mesh': 'MESH:D003348',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D003348',\n",
       "    'name': 'cortisone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23219', 'name': 'COX Genes', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D011453', 'name': 'Prostaglandins', 'label': 'Compound Class'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003348',\n",
       "    'target': 'UniProt:P23219',\n",
       "    'key': 'DECREASES_EXPRESSION'},\n",
       "   {'source': 'UniProt:P23219', 'target': 'MESH:D011453', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D011453', 'target': 'GO:0006954', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cortisone acetate',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB01380',\n",
       "   'drug_mesh': 'MESH:D003348',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D003348',\n",
       "    'name': 'cortisone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'lipocortin-1', 'label': 'Protein'},\n",
       "   {'id': 'GO:0050900', 'name': 'Immune Cell Funciton', 'label': 'Pathway'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003348',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'INCREASES_EXPRESSION'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'GO:0050900',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0050900', 'target': 'GO:0006954', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cortisone acetate',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB01380',\n",
       "   'drug_mesh': 'MESH:D003348',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D003348',\n",
       "    'name': 'cortisone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'Annexin A1', 'label': 'Protein'},\n",
       "   {'id': 'REACT:R-HSA-2162123',\n",
       "    'name': 'Prostaglandin Synthesis',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003348',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'REACT:R-HSA-2162123',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'REACT:R-HSA-2162123',\n",
       "    'target': 'GO:0006954',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cortisone acetate',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB01380',\n",
       "   'drug_mesh': 'MESH:D003348',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D003348',\n",
       "    'name': 'cortisone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P23219', 'name': 'COX genes', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D011453', 'name': 'Prostaglandins', 'label': 'Compound Class'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003348',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P23219',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P23219', 'target': 'MESH:D011453', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D011453', 'target': 'GO:0006954', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'valganciclovir',\n",
       "   'disease': 'CMV infection',\n",
       "   'drugbank': 'DB01610',\n",
       "   'drug_mesh': 'MESH:D000077562',\n",
       "   'disease_mesh': 'MESH:D003586'},\n",
       "  'nodes': [{'id': 'MESH:D000077562',\n",
       "    'name': 'valganciclovir',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'MESH:D015774', 'name': 'ganciclovir', 'label': 'Compound'},\n",
       "   {'id': 'GO:0039693',\n",
       "    'name': 'viral DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:10358', 'name': 'Cytomegalovirus', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D003586', 'name': 'CMV infection', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000077562',\n",
       "    'target': 'MESH:D015774',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'MESH:D015774', 'target': 'GO:0039693', 'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0039693',\n",
       "    'target': 'NCBITaxon:10358',\n",
       "    'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:10358', 'target': 'MESH:D003586', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'metronidazole',\n",
       "   'disease': 'Bacterial septicemia',\n",
       "   'drugbank': 'DB00916',\n",
       "   'drug_mesh': 'MESH:D008795',\n",
       "   'disease_mesh': 'MESH:D018805'},\n",
       "  'nodes': [{'id': 'MESH:D008795', 'name': 'metronidazole', 'label': 'Drug'},\n",
       "   {'id': 'MESH:C029371',\n",
       "    'name': 'hydroxyethyl oxamic acid',\n",
       "    'label': 'Compound'},\n",
       "   {'id': 'GO:0003676',\n",
       "    'name': 'bacterial Nucleic Acid synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:2', 'name': 'Bacteria', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D018805', 'name': 'Bacterial septicemia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D008795',\n",
       "    'target': 'MESH:C029371',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'MESH:C029371', 'target': 'GO:0003676', 'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0003676', 'target': 'NCBITaxon:2', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:2', 'target': 'MESH:D018805', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'demeclocycline',\n",
       "   'disease': 'Rickettsialpox',\n",
       "   'drugbank': 'DB00618',\n",
       "   'drug_mesh': 'MESH:D003707',\n",
       "   'disease_mesh': 'MESH:D000073605'},\n",
       "  'nodes': [{'id': 'MESH:D003707', 'name': 'demeclocycline', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0A7S3',\n",
       "    'name': '30S Ribosomal Subunit',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:786', 'name': 'Rickettsia akari', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D000073605', 'name': 'Rickettsialpox', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003707',\n",
       "    'target': 'UniProt:P0A7S3',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0A7S3', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:786', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:786', 'target': 'MESH:D000073605', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'demeclocycline',\n",
       "   'disease': 'Rickettsialpox',\n",
       "   'drugbank': 'DB00618',\n",
       "   'drug_mesh': 'MESH:D003707',\n",
       "   'disease_mesh': 'MESH:D000073605'},\n",
       "  'nodes': [{'id': 'MESH:D003707', 'name': 'demeclocycline', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0A7J3',\n",
       "    'name': '50S Ribosomal Subunit',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:786', 'name': 'Rickettsia akari', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D000073605', 'name': 'Rickettsialpox', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003707',\n",
       "    'target': 'UniProt:P0A7J3',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0A7J3', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:786', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:786', 'target': 'MESH:D000073605', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'amoxicillin',\n",
       "   'disease': 'Streptococcal tonsillitis',\n",
       "   'drugbank': 'DB01060',\n",
       "   'drug_mesh': 'MESH:D000658',\n",
       "   'disease_mesh': 'MESH:D014069'},\n",
       "  'nodes': [{'id': 'MESH:D000658', 'name': 'amoxicillin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P71707',\n",
       "    'name': 'Penicillin-binding protein 1A',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Peptidoglycan Biosyntheic Process',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1314',\n",
       "    'name': 'Streptococcus pyogenes',\n",
       "    'label': 'Taxon'},\n",
       "   {'id': 'MESH:D014069',\n",
       "    'name': 'Streptococcal tonsillitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000658',\n",
       "    'target': 'UniProt:P71707',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P71707', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:1314', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1314', 'target': 'MESH:D014069', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'alatrofloxacin',\n",
       "   'disease': 'Staphylococcal pneumonia',\n",
       "   'drugbank': 'DB09335',\n",
       "   'drug_mesh': 'MESH:C106856',\n",
       "   'disease_mesh': 'MESH:D011023'},\n",
       "  'nodes': [{'id': 'MESH:C106856', 'name': 'alatrofloxacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0C1U9', 'name': 'Topoisomeraze 4', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006260',\n",
       "    'name': 'Bacterial DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1280', 'name': 'Staphylococcus aureus', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D011023',\n",
       "    'name': 'Staphylococcal pneumonia',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C106856',\n",
       "    'target': 'UniProt:P0C1U9',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0C1U9', 'target': 'GO:0006260', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006260', 'target': 'NCBITaxon:1280', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1280', 'target': 'MESH:D011023', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'alatrofloxacin',\n",
       "   'disease': 'Staphylococcal pneumonia',\n",
       "   'drugbank': 'DB09335',\n",
       "   'drug_mesh': 'MESH:C106856',\n",
       "   'disease_mesh': 'MESH:D011023'},\n",
       "  'nodes': [{'id': 'MESH:C106856', 'name': 'alatrofloxacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P20831', 'name': 'DNA gyrase', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006260',\n",
       "    'name': 'Bacterial DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1280', 'name': 'Staphylococcus aureus', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D011023',\n",
       "    'name': 'Staphylococcal pneumonia',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C106856',\n",
       "    'target': 'UniProt:P20831',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P20831', 'target': 'GO:0006260', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006260', 'target': 'NCBITaxon:1280', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1280', 'target': 'MESH:D011023', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'amikacin',\n",
       "   'disease': 'Bacterial meningitis',\n",
       "   'drugbank': 'DB00479',\n",
       "   'drug_mesh': 'MESH:D000583',\n",
       "   'disease_mesh': 'MESH:D016920'},\n",
       "  'nodes': [{'id': 'MESH:D000583', 'name': 'amikacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0A7S3',\n",
       "    'name': '30S Ribosomal Subunit',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:2', 'name': 'Bacteria', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D016920', 'name': 'Bacterial meningitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000583',\n",
       "    'target': 'UniProt:P0A7S3',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0A7S3', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:2', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:2', 'target': 'MESH:D016920', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'dexamethasone',\n",
       "   'disease': 'Tenosynovitis',\n",
       "   'drugbank': 'DB01234',\n",
       "   'drug_mesh': 'MESH:D003907',\n",
       "   'disease_mesh': 'MESH:D013717'},\n",
       "  'nodes': [{'id': 'MESH:D003907', 'name': 'dexamethasone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'Annexin A1', 'label': 'Protein'},\n",
       "   {'id': 'REACT:R-HSA-2162123',\n",
       "    'name': 'Prostaglandin Synthesis',\n",
       "    'label': 'Pathway'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D013717', 'name': 'Tenosynovitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D003907',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'REACT:R-HSA-2162123',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'REACT:R-HSA-2162123',\n",
       "    'target': 'GO:0006954',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D013717', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ceftazidime',\n",
       "   'disease': 'Bacterial urinary infection',\n",
       "   'drugbank': 'DB00438',\n",
       "   'drug_mesh': 'MESH:D002442',\n",
       "   'disease_mesh': 'MESH:D014552'},\n",
       "  'nodes': [{'id': 'MESH:D002442', 'name': 'ceftazidime', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q8DR59',\n",
       "    'name': 'Penicillin-binding proteins',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Bacterial Cell Wall Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:562', 'name': 'Escherichia coli', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D014552',\n",
       "    'name': 'Bacterial urinary infection',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D002442',\n",
       "    'target': 'UniProt:Q8DR59',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q8DR59', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:562', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:562', 'target': 'MESH:D014552', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'pinacidil',\n",
       "   'disease': 'Hypertension',\n",
       "   'drugbank': 'DB06762',\n",
       "   'drug_mesh': 'MESH:D020110',\n",
       "   'disease_mesh': 'MESH:D006973'},\n",
       "  'nodes': [{'id': 'MESH:D020110', 'name': 'pinacidil', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q12791',\n",
       "    'name': 'Calcium-activated potassium channel subunit alpha-1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0042311', 'name': 'Vasodilation', 'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008217',\n",
       "    'name': 'Negative Regulation of Blood Pressure',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D006973', 'name': 'Hypertension', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D020110',\n",
       "    'target': 'UniProt:Q12791',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:Q12791', 'target': 'GO:0042311', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0042311', 'target': 'GO:0008217', 'key': 'ASSOCIATED_WITH'},\n",
       "   {'source': 'GO:0008217', 'target': 'MESH:D006973', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'pinacidil',\n",
       "   'disease': 'Hypertension',\n",
       "   'drugbank': 'DB06762',\n",
       "   'drug_mesh': 'MESH:D020110',\n",
       "   'disease_mesh': 'MESH:D006973'},\n",
       "  'nodes': [{'id': 'MESH:D020110', 'name': 'pinacidil', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q12791',\n",
       "    'name': 'Calcium-activated potassium channel subunit alpha-1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0042311', 'name': 'Vasodilation', 'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008217',\n",
       "    'name': 'Negative Regulation of Blood Pressure',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D006973', 'name': 'Hypertension', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D020110',\n",
       "    'target': 'UniProt:Q12791',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:Q12791', 'target': 'GO:0042311', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0042311', 'target': 'GO:0008217', 'key': 'ASSOCIATED_WITH'},\n",
       "   {'source': 'GO:0008217', 'target': 'MESH:D006973', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'antazoline',\n",
       "   'disease': 'Vasomotor rhinitis',\n",
       "   'drugbank': 'DB08799',\n",
       "   'drug_mesh': 'MESH:D000865',\n",
       "   'disease_mesh': 'MESH:D012223'},\n",
       "  'nodes': [{'id': 'MESH:D000865', 'name': 'antazoline', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35367',\n",
       "    'name': 'histamine H1 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0034776',\n",
       "    'name': 'histamine response',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012223', 'name': 'Vasomotor rhinitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000865',\n",
       "    'target': 'UniProt:P35367',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35367', 'target': 'GO:0034776', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0034776', 'target': 'MESH:D012223', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'levofloxacin',\n",
       "   'disease': 'Pyelonephritis',\n",
       "   'drugbank': 'DB01137',\n",
       "   'drug_mesh': 'MESH:D064704',\n",
       "   'disease_mesh': 'MESH:D011704'},\n",
       "  'nodes': [{'id': 'MESH:D064704', 'name': 'levofloxacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P11388', 'name': 'DNA gyrase', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006260',\n",
       "    'name': 'Bacterial DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:562', 'name': 'E. coli', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D011704', 'name': 'Pyelonephritis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D064704',\n",
       "    'target': 'UniProt:P11388',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P11388', 'target': 'GO:0006260', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006260', 'target': 'NCBITaxon:562', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:562', 'target': 'MESH:D011704', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'nimodipine',\n",
       "   'disease': 'Subarachnoid intracranial hemorrhage',\n",
       "   'drugbank': 'DB00393',\n",
       "   'drug_mesh': 'MESH:D009553',\n",
       "   'disease_mesh': 'MESH:D020300'},\n",
       "  'nodes': [{'id': 'MESH:D009553', 'name': 'nimodipine', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR005446',\n",
       "    'name': 'voltage dependent l-type calcium channels',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0006939',\n",
       "    'name': 'Smooth muscle contraction',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008217',\n",
       "    'name': 'Blood Pressure',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D013345',\n",
       "    'name': 'Subarachnoid intracranial hemorrhage',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009553',\n",
       "    'target': 'InterPro:IPR005446',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'InterPro:IPR005446',\n",
       "    'target': 'GO:0006939',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006939', 'target': 'GO:0008217', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0008217', 'target': 'MESH:D013345', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'nimodipine',\n",
       "   'disease': 'Subarachnoid intracranial hemorrhage',\n",
       "   'drugbank': 'DB00393',\n",
       "   'drug_mesh': 'MESH:D009553',\n",
       "   'disease_mesh': 'MESH:D020300'},\n",
       "  'nodes': [{'id': 'MESH:D009553', 'name': 'nimodipine', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR005446',\n",
       "    'name': 'voltage dependent l-type calcium channels',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0006939',\n",
       "    'name': 'Smooth muscle contraction',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008217',\n",
       "    'name': 'Blood Pressure',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D013345',\n",
       "    'name': 'Subarachnoid intracranial hemorrhage',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009553',\n",
       "    'target': 'InterPro:IPR005446',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'InterPro:IPR005446',\n",
       "    'target': 'GO:0006939',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006939', 'target': 'GO:0008217', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0008217', 'target': 'MESH:D013345', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'fluticasone propionate',\n",
       "   'disease': 'Bronchitis',\n",
       "   'drugbank': 'DB00588',\n",
       "   'drug_mesh': 'MESH:D000068298',\n",
       "   'disease_mesh': 'MESH:D001991'},\n",
       "  'nodes': [{'id': 'MESH:D000068298',\n",
       "    'name': 'fluticasone propionate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P47712', 'name': 'Phospholipase A2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D001991', 'name': 'Bronchitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068298',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P47712',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P47712', 'target': 'GO:0006954', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D001991', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'fluticasone propionate',\n",
       "   'disease': 'Bronchitis',\n",
       "   'drugbank': 'DB00588',\n",
       "   'drug_mesh': 'MESH:D000068298',\n",
       "   'disease_mesh': 'MESH:D001991'},\n",
       "  'nodes': [{'id': 'MESH:D000068298',\n",
       "    'name': 'fluticasone propionate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P22301', 'name': 'IL-10', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D001991', 'name': 'Bronchitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068298',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P22301',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:P22301',\n",
       "    'target': 'GO:0006954',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D001991', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'fluphenazine',\n",
       "   'disease': 'Schizophrenia',\n",
       "   'drugbank': 'DB00623',\n",
       "   'drug_mesh': 'MESH:D005476',\n",
       "   'disease_mesh': 'MESH:D012559'},\n",
       "  'nodes': [{'id': 'MESH:D005476', 'name': 'fluphenazine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P14416',\n",
       "    'name': 'D(2) dopamine receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0030252',\n",
       "    'name': 'growth hormone secretion',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012559', 'name': 'Schizophrenia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005476',\n",
       "    'target': 'UniProt:P14416',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P14416', 'target': 'GO:0030252', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0030252', 'target': 'MESH:D012559', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'abacavir',\n",
       "   'disease': 'HIV infection',\n",
       "   'drugbank': 'DB01048',\n",
       "   'drug_mesh': 'MESH:C106538',\n",
       "   'disease_mesh': 'MESH:D015658'},\n",
       "  'nodes': [{'id': 'MESH:C106538', 'name': 'abacavir', 'label': 'Drug'},\n",
       "   {'id': 'MESH:C066928',\n",
       "    'name': 'carbovir triphosphate',\n",
       "    'label': 'Compound'},\n",
       "   {'id': 'UniProt:P04585',\n",
       "    'name': 'HIV-1 reverse transcriptase',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0039693',\n",
       "    'name': 'Viral DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D015658', 'name': 'HIV infection', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C106538',\n",
       "    'target': 'MESH:C066928',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'MESH:C066928', 'target': 'UniProt:P04585', 'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P04585', 'target': 'GO:0039693', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0039693', 'target': 'MESH:D015658', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'norethisterone',\n",
       "   'disease': 'Menorrhagia',\n",
       "   'drugbank': 'DB00717',\n",
       "   'drug_mesh': 'MESH:D009640',\n",
       "   'disease_mesh': 'MESH:D008595'},\n",
       "  'nodes': [{'id': 'MESH:D009640', 'name': 'norethisterone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P06401',\n",
       "    'name': 'progesterone receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P01148',\n",
       "    'name': 'gonadotropin releasing hormone',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0032275',\n",
       "    'name': 'Luteinizing hormone secretion',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D008595', 'name': 'Menorrhagia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009640',\n",
       "    'target': 'UniProt:P06401',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P06401',\n",
       "    'target': 'UniProt:P01148',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P01148',\n",
       "    'target': 'GO:0032275',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0032275',\n",
       "    'target': 'MESH:D008595',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'carbinoxamine',\n",
       "   'disease': 'seasonal allergic conjunctivitis',\n",
       "   'drugbank': 'DB00748',\n",
       "   'drug_mesh': 'MESH:C004649',\n",
       "   'disease_mesh': 'MESH:D003233'},\n",
       "  'nodes': [{'id': 'MESH:C004649', 'name': 'carbinoxamine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35367',\n",
       "    'name': 'histamine H1 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0034776',\n",
       "    'name': 'histamine response',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003233',\n",
       "    'name': 'seasonal allergic conjunctivitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C004649',\n",
       "    'target': 'UniProt:P35367',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35367', 'target': 'GO:0034776', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0034776', 'target': 'MESH:D003233', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'follitropin',\n",
       "   'disease': 'primary ovarian failure',\n",
       "   'drugbank': 'DB00066',\n",
       "   'drug_mesh': 'MESH:D005640',\n",
       "   'disease_mesh': 'MESH:D016649'},\n",
       "  'nodes': [{'id': 'MESH:D005640', 'name': 'follitropin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23945',\n",
       "    'name': 'Human follicle stimulating hormone receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0030728', 'name': 'ovulation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D016649',\n",
       "    'name': 'primary ovarian failure',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005640',\n",
       "    'target': 'UniProt:P23945',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P23945', 'target': 'GO:0030728', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0030728', 'target': 'MESH:D016649', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ceftriaxone',\n",
       "   'disease': 'Gonorrhea',\n",
       "   'drugbank': 'DB01212',\n",
       "   'drug_mesh': 'MESH:D002443',\n",
       "   'disease_mesh': 'MESH:D006069'},\n",
       "  'nodes': [{'id': 'MESH:D002443', 'name': 'ceftriaxone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:O05131',\n",
       "    'name': 'Penicillin-binding protein 2B',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Bacterial Cell Wall Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:485', 'name': 'N. gonorrhoeae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D006069', 'name': 'Gonorrhea', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D002443',\n",
       "    'target': 'UniProt:O05131',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:O05131', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:485', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:485', 'target': 'MESH:D006069', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'fusidic acid',\n",
       "   'disease': 'Anthrax',\n",
       "   'drugbank': 'DB02703',\n",
       "   'drug_mesh': 'MESH:D005672',\n",
       "   'disease_mesh': 'MESH:D000881'},\n",
       "  'nodes': [{'id': 'MESH:D005672', 'name': 'fusidic acid', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q81VT3', 'name': 'elongation factor g', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1392', 'name': 'Bacillus anthracis', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D000881', 'name': 'Anthrax', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005672',\n",
       "    'target': 'UniProt:Q81VT3',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q81VT3', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:1392', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1392', 'target': 'MESH:D000881', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'warfarin',\n",
       "   'disease': 'Pulmonary embolism',\n",
       "   'drugbank': 'DB00682',\n",
       "   'drug_mesh': 'MESH:D014859',\n",
       "   'disease_mesh': 'MESH:D011655'},\n",
       "  'nodes': [{'id': 'MESH:D014859', 'name': 'warfarin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q9BQB6', 'name': 'vitamin k reductase', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D014812', 'name': 'reduced vitamin k', 'label': 'Compound'},\n",
       "   {'id': 'GO:0007596',\n",
       "    'name': 'Coagulation factor Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D011655', 'name': 'Pulmonary embolism', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D014859',\n",
       "    'target': 'UniProt:Q9BQB6',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q9BQB6', 'target': 'MESH:D014812', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D014812', 'target': 'GO:0007596', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0007596', 'target': 'MESH:D011655', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'metreleptin',\n",
       "   'disease': 'lipodystrophy',\n",
       "   'drugbank': 'DB09046',\n",
       "   'drug_mesh': 'MESH:C415771',\n",
       "   'disease_mesh': 'MESH:D008060'},\n",
       "  'nodes': [{'id': 'MESH:C415771', 'name': 'metreleptin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P48357', 'name': 'leptin receptor', 'label': 'Protein'},\n",
       "   {'id': 'GO:0060612', 'name': 'adipogenesis', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D008060', 'name': 'lipodystrophy', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C415771',\n",
       "    'target': 'UniProt:P48357',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P48357', 'target': 'GO:0060612', 'key': 'REGULATES'},\n",
       "   {'source': 'GO:0060612', 'target': 'MESH:D008060', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ceftizoxime',\n",
       "   'disease': 'Klebsiella cystitis',\n",
       "   'drugbank': 'DB01332',\n",
       "   'drug_mesh': 'MESH:D015296',\n",
       "   'disease_mesh': 'MESH:D007710'},\n",
       "  'nodes': [{'id': 'MESH:D015296', 'name': 'ceftizoxime', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P71707',\n",
       "    'name': 'Penicillin-binding protein 1A',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Bacterial Cell Wall Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:573', 'name': 'Klebsiella pneumoniae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D007710', 'name': 'Klebsiella cystitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D015296',\n",
       "    'target': 'UniProt:P71707',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P71707', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:573', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:573', 'target': 'MESH:D007710', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'loratadine',\n",
       "   'disease': 'Allergic Rhinitis',\n",
       "   'drugbank': 'DB00455',\n",
       "   'drug_mesh': 'MESH:D017336',\n",
       "   'disease_mesh': 'MESH:D065631'},\n",
       "  'nodes': [{'id': 'MESH:D017336', 'name': 'loratadine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35367',\n",
       "    'name': 'histamine H1 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0034776',\n",
       "    'name': 'histamine response',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D065631', 'name': 'Allergic Rhinitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D017336',\n",
       "    'target': 'UniProt:P35367',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35367', 'target': 'GO:0034776', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0034776', 'target': 'MESH:D065631', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'oxymetazoline',\n",
       "   'disease': 'Nasal Congestion',\n",
       "   'drugbank': 'DB00935',\n",
       "   'drug_mesh': 'MESH:D010109',\n",
       "   'disease_mesh': 'MESH:D015508'},\n",
       "  'nodes': [{'id': 'MESH:D010109', 'name': 'oxymetazoline', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35348',\n",
       "    'name': 'Alpha-1a adrenergic receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0042310',\n",
       "    'name': 'Vasoconstriction',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D015508', 'name': 'Nasal Congestion', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D010109',\n",
       "    'target': 'UniProt:P35348',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P35348', 'target': 'GO:0042310', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0042310', 'target': 'MESH:D015508', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'phenobarbital',\n",
       "   'disease': 'Epilepsy',\n",
       "   'drugbank': 'DB01174',\n",
       "   'drug_mesh': 'MESH:D010634',\n",
       "   'disease_mesh': 'MESH:D004827'},\n",
       "  'nodes': [{'id': 'MESH:D010634', 'name': 'phenobarbital', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR006028',\n",
       "    'name': 'GABAA Receptors',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0099536',\n",
       "    'name': 'Synaptic Signaling',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D004827', 'name': 'Epilepsy', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D010634',\n",
       "    'target': 'InterPro:IPR006028',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'InterPro:IPR006028',\n",
       "    'target': 'GO:0099536',\n",
       "    'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0099536', 'target': 'MESH:D004827', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'lidocaine',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00281',\n",
       "   'drug_mesh': 'MESH:D008012',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D008012', 'name': 'lidocaine', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR028809',\n",
       "    'name': 'Neuronal Voltage gated sodium channels',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0019233 ',\n",
       "    'name': 'Sensory perception of pain',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'},\n",
       "   {'id': None, 'name': 'Pain', 'label': None}],\n",
       "  'links': [{'source': 'MESH:D008012',\n",
       "    'target': 'InterPro:IPR028809',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'InterPro:IPR028809',\n",
       "    'target': 'GO:0019233 ',\n",
       "    'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0019233 ', 'target': 'MESH:D010146', 'key': 'CAUSES'},\n",
       "   {'source': 'MESH:D010146', 'target': None, 'key': None}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'duloxetine',\n",
       "   'disease': 'major depressive disorder',\n",
       "   'drugbank': 'DB00476',\n",
       "   'drug_mesh': 'MESH:D000068736',\n",
       "   'disease_mesh': 'MESH:D003865'},\n",
       "  'nodes': [{'id': 'MESH:D000068736', 'name': 'duloxetine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P31645',\n",
       "    'name': 'sodium dependent serotonin transporter',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0051610',\n",
       "    'name': 'Neuronal serotonin reuptake',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003865',\n",
       "    'name': 'major depressive disorder',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068736',\n",
       "    'target': 'UniProt:P31645',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P31645', 'target': 'GO:0051610', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0051610', 'target': 'MESH:D003865', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'doxylamine',\n",
       "   'disease': 'Allergic Rhinitis',\n",
       "   'drugbank': 'DB00366',\n",
       "   'drug_mesh': 'MESH:D004319',\n",
       "   'disease_mesh': 'MESH:D065631'},\n",
       "  'nodes': [{'id': 'MESH:D004319', 'name': 'doxylamine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35367',\n",
       "    'name': 'histamine H1 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0034776',\n",
       "    'name': 'histamine response',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D065631', 'name': 'Allergic Rhinitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D004319',\n",
       "    'target': 'UniProt:P35367',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35367', 'target': 'GO:0034776', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0034776', 'target': 'MESH:D065631', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'clarithromycin',\n",
       "   'disease': 'Acute maxillary sinusitis',\n",
       "   'drugbank': 'DB01211',\n",
       "   'drug_mesh': 'MESH:D017291',\n",
       "   'disease_mesh': 'MESH:D015523'},\n",
       "  'nodes': [{'id': 'MESH:D017291', 'name': 'clarithromycin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P44350',\n",
       "    'name': '50S Ribosomal protein l-10',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:727', 'name': 'Haemophilus influenzae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D015523',\n",
       "    'name': 'Acute maxillary sinusitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D017291',\n",
       "    'target': 'UniProt:P44350',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P44350', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:727', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:727', 'target': 'MESH:D015523', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'minoxidil',\n",
       "   'disease': 'Hypertension',\n",
       "   'drugbank': 'DB00350',\n",
       "   'drug_mesh': 'MESH:D008914',\n",
       "   'disease_mesh': 'MESH:D006973'},\n",
       "  'nodes': [{'id': 'MESH:D008914', 'name': 'minoxidil', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P48048',\n",
       "    'name': 'ATP-sensitive inward rectifier potassium channel 1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0042311', 'name': 'Vasodilation', 'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008217',\n",
       "    'name': 'Blood Pressure',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D006973', 'name': 'Hypertension', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D008914',\n",
       "    'target': 'UniProt:P48048',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P48048', 'target': 'GO:0042311', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0042311', 'target': 'GO:0008217', 'key': 'REDUCES'},\n",
       "   {'source': 'GO:0008217', 'target': 'MESH:D006973', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'minoxidil',\n",
       "   'disease': 'Hypertension',\n",
       "   'drugbank': 'DB00350',\n",
       "   'drug_mesh': 'MESH:D008914',\n",
       "   'disease_mesh': 'MESH:D006973'},\n",
       "  'nodes': [{'id': 'MESH:D008914', 'name': 'minoxidil', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P48048',\n",
       "    'name': 'ATP-sensitive inward rectifier potassium channel 1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0042311', 'name': 'Vasodilation', 'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008217',\n",
       "    'name': 'Blood Pressure',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D006973', 'name': 'Hypertension', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D008914',\n",
       "    'target': 'UniProt:P48048',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P48048', 'target': 'GO:0042311', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0042311', 'target': 'GO:0008217', 'key': 'REDUCES'},\n",
       "   {'source': 'GO:0008217', 'target': 'MESH:D006973', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'sildenafil',\n",
       "   'disease': 'Erectile Disfunction',\n",
       "   'drugbank': 'DB00203',\n",
       "   'drug_mesh': 'MESH:D000068677',\n",
       "   'disease_mesh': 'MESH:D007172'},\n",
       "  'nodes': [{'id': 'MESH:D000068677', 'name': 'sildenafil', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:O76074',\n",
       "    'name': 'phosphodisterase type 5',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'MESH:D006152', 'name': 'cGMP', 'label': 'Compound'},\n",
       "   {'id': 'GO:0042311', 'name': 'Vasodilation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007172', 'name': 'Erectile Disfunction', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000068677',\n",
       "    'target': 'UniProt:O76074',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:O76074', 'target': 'MESH:D006152', 'key': 'REDUCES'},\n",
       "   {'source': 'MESH:D006152', 'target': 'GO:0042311', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0042311', 'target': 'MESH:D007172', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'gemifloxacin',\n",
       "   'disease': 'Bacterial pneumonia',\n",
       "   'drugbank': 'DB01155',\n",
       "   'drug_mesh': 'MESH:D000077735',\n",
       "   'disease_mesh': 'MESH:D018410'},\n",
       "  'nodes': [{'id': 'MESH:D000077735', 'name': 'gemifloxacin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P72525', 'name': 'Topoisomeraze 4', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006260',\n",
       "    'name': 'Bacterial DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1313',\n",
       "    'name': 'Streptococcus pneumoniae',\n",
       "    'label': 'Taxon'},\n",
       "   {'id': 'MESH:D018410', 'name': 'Bacterial pneumonia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000077735',\n",
       "    'target': 'UniProt:P72525',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P72525', 'target': 'GO:0006260', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006260', 'target': 'NCBITaxon:1313', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1313', 'target': 'MESH:D018410', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'betamethasone',\n",
       "   'disease': \"Crohn's disease\",\n",
       "   'drugbank': 'DB00443',\n",
       "   'drug_mesh': 'MESH:D001623',\n",
       "   'disease_mesh': 'MESH:D003424'},\n",
       "  'nodes': [{'id': 'MESH:D001623', 'name': 'betamethasone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P47712', 'name': 'Phospholipase A2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003424', 'name': \"Crohn's disease\", 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D001623',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P47712',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P47712', 'target': 'GO:0006954', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D003424', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'tazanolast',\n",
       "   'disease': 'Allergic conjuctivitis',\n",
       "   'drugbank': None,\n",
       "   'drug_mesh': 'MESH:C106301',\n",
       "   'disease_mesh': 'MESH:D003233'},\n",
       "  'nodes': [{'id': 'MESH:C106301', 'name': 'tazanolast', 'label': 'Drug'},\n",
       "   {'id': 'GO:0002553',\n",
       "    'name': 'Histamine sections by Mast Cell',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003233',\n",
       "    'name': 'Allergic conjuctivitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C106301',\n",
       "    'target': 'GO:0002553',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'GO:0002553',\n",
       "    'target': 'MESH:D003233',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'triamcinolone diacetate',\n",
       "   'disease': \"Crohn's disease\",\n",
       "   'drugbank': 'DB00620',\n",
       "   'drug_mesh': 'MESH:D014221',\n",
       "   'disease_mesh': 'MESH:D003424'},\n",
       "  'nodes': [{'id': 'MESH:D014221',\n",
       "    'name': 'triamcinolone diacetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P47712', 'name': 'Phospholipase A2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006954', 'name': 'Inflammation', 'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003424', 'name': \"Crohn's disease\", 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D014221',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P47712',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P47712', 'target': 'GO:0006954', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D003424', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'gabapentin',\n",
       "   'disease': 'Restless Legs Syndrome',\n",
       "   'drugbank': 'DB00996',\n",
       "   'drug_mesh': 'MESH:D000077206',\n",
       "   'disease_mesh': 'MESH:D012148'},\n",
       "  'nodes': [{'id': 'MESH:D000077206', 'name': 'gabapentin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P54289',\n",
       "    'name': 'voltage dependent calcium channel alpha-2-delta',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006936',\n",
       "    'name': 'Muscle Contraction',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012148',\n",
       "    'name': 'Restless Legs Syndrome',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000077206',\n",
       "    'target': 'UniProt:P54289',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P54289', 'target': 'GO:0006936', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006936', 'target': 'MESH:D012148', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'imipenem',\n",
       "   'disease': 'Peritonitis',\n",
       "   'drugbank': 'DB01598',\n",
       "   'drug_mesh': 'MESH:D015378',\n",
       "   'disease_mesh': 'MESH:D010538'},\n",
       "  'nodes': [{'id': 'MESH:D015378', 'name': 'imipenem', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0AD65',\n",
       "    'name': 'Penicillin-binding proteins',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Bacterial Cell Wall Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:562', 'name': 'Escherichia coli', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D010538', 'name': 'Peritonitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D015378',\n",
       "    'target': 'UniProt:P0AD65',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0AD65', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:562', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:562', 'target': 'MESH:D010538', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'prednisolone',\n",
       "   'disease': 'Sarcoidosis',\n",
       "   'drugbank': 'DB00860',\n",
       "   'drug_mesh': 'MESH:D011239',\n",
       "   'disease_mesh': 'MESH:D012507'},\n",
       "  'nodes': [{'id': 'MESH:D011239', 'name': 'prednisolone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'lipocortins', 'label': 'Protein'},\n",
       "   {'id': 'UniProt:P47712', 'name': 'phospholipase a2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006954',\n",
       "    'name': 'Inflammation signaling',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012507', 'name': 'Sarcoidosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D011239',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'UniProt:P47712',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P47712', 'target': 'GO:0006954', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D012507', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'pramocaine',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB09345',\n",
       "   'drug_mesh': 'MESH:C005548',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:C005548', 'name': 'pramocaine', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR028809',\n",
       "    'name': 'Neuronal Voltage gated sodium channels',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0019227',\n",
       "    'name': 'Neuronal Action Potential Transmission',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C005548',\n",
       "    'target': 'InterPro:IPR028809',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'InterPro:IPR028809',\n",
       "    'target': 'GO:0019227',\n",
       "    'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0019227', 'target': 'MESH:D010146', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'neomycin',\n",
       "   'disease': 'Keratitis',\n",
       "   'drugbank': 'DB00994',\n",
       "   'drug_mesh': 'MESH:D009355',\n",
       "   'disease_mesh': 'MESH:D007634'},\n",
       "  'nodes': [{'id': 'MESH:D009355', 'name': 'neomycin', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0A0H0',\n",
       "    'name': '30S Ribosomal Subunit',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1280', 'name': 'Staphylococcus aureus', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D007634', 'name': 'Keratitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D009355',\n",
       "    'target': 'UniProt:P0A0H0',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0A0H0', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:1280', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1280', 'target': 'MESH:D007634', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ertapenem',\n",
       "   'disease': 'Bacterial pneumonia',\n",
       "   'drugbank': 'DB00303',\n",
       "   'drug_mesh': 'MESH:D000077727',\n",
       "   'disease_mesh': 'MESH:D018410'},\n",
       "  'nodes': [{'id': 'MESH:D000077727', 'name': 'ertapenem', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P44469',\n",
       "    'name': 'Penicillin-binding proteins',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'GO:0009252',\n",
       "    'name': 'Bacterial Cell Wall Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:727', 'name': 'Haemophilus influenzae', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D018410', 'name': 'Bacterial pneumonia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000077727',\n",
       "    'target': 'UniProt:P44469',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P44469', 'target': 'GO:0009252', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0009252', 'target': 'NCBITaxon:727', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:727', 'target': 'MESH:D018410', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'halcinonide',\n",
       "   'disease': 'Dermatosis',\n",
       "   'drugbank': 'DB06786',\n",
       "   'drug_mesh': 'MESH:D006206',\n",
       "   'disease_mesh': 'MESH:D012871'},\n",
       "  'nodes': [{'id': 'MESH:D006206', 'name': 'halcinonide', 'label': 'Drug'},\n",
       "   {'id': 'GO:0006954',\n",
       "    'name': 'inflammatory signalling',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012871', 'name': 'Dermatosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D006206',\n",
       "    'target': 'GO:0006954',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D012871', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'pimozide',\n",
       "   'disease': 'Tourette’s Disorder',\n",
       "   'drugbank': 'DB01100',\n",
       "   'drug_mesh': 'MESH:D010868',\n",
       "   'disease_mesh': 'MESH:D005879'},\n",
       "  'nodes': [{'id': 'MESH:D010868', 'name': 'pimozide', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P14416',\n",
       "    'name': 'Dopamine D2 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0014046',\n",
       "    'name': 'Dopamine Release',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'HP:0100033', 'name': 'tics', 'label': 'Phenotype'},\n",
       "   {'id': 'MESH:D005879', 'name': 'Tourette’s Disorder', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D010868',\n",
       "    'target': 'UniProt:P14416',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P14416', 'target': 'GO:0014046', 'key': 'ACTIVATED_BY'},\n",
       "   {'source': 'GO:0014046', 'target': 'HP:0100033', 'key': 'ASSOCIATED_WITH'},\n",
       "   {'source': 'HP:0100033', 'target': 'MESH:D005879', 'key': 'PRESENTED_BY'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'levonorgestrel',\n",
       "   'disease': 'Menorrhagia',\n",
       "   'drugbank': 'DB00367',\n",
       "   'drug_mesh': 'MESH:D016912',\n",
       "   'disease_mesh': 'MESH:D008595'},\n",
       "  'nodes': [{'id': 'MESH:D016912', 'name': 'levonorgestrel', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P06401',\n",
       "    'name': 'progesterone receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P01148',\n",
       "    'name': 'gonadotropin releasing hormone',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0032275',\n",
       "    'name': 'Luteinizing hormone secretion',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D008595', 'name': 'Menorrhagia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D016912',\n",
       "    'target': 'UniProt:P06401',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P06401',\n",
       "    'target': 'UniProt:P01148',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P01148',\n",
       "    'target': 'GO:0032275',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0032275',\n",
       "    'target': 'MESH:D008595',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'dimethyl fumarate',\n",
       "   'disease': 'Multiple Sclerosis',\n",
       "   'drugbank': 'DB08908',\n",
       "   'drug_mesh': 'MESH:D000069462',\n",
       "   'disease_mesh': 'MESH:D009103'},\n",
       "  'nodes': [{'id': 'MESH:D000069462',\n",
       "    'name': 'dimethyl fumarate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'MESH:Q14145',\n",
       "    'name': 'Kelch-like ECH-associated protein 1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:Q16236', 'name': 'Nrf2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006979',\n",
       "    'name': 'Oxidative Stress',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D009103', 'name': 'Multiple Sclerosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000069462',\n",
       "    'target': 'MESH:Q14145',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'MESH:Q14145',\n",
       "    'target': 'UniProt:Q16236',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:Q16236',\n",
       "    'target': 'GO:0006979',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0006979',\n",
       "    'target': 'MESH:D009103',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'inulin',\n",
       "   'disease': 'Hyperglycemia',\n",
       "   'drugbank': 'DB00638',\n",
       "   'drug_mesh': 'MESH:D007444',\n",
       "   'disease_mesh': 'MESH:D006943'},\n",
       "  'nodes': [{'id': 'MESH:D007444', 'name': 'inulin', 'label': 'Drug'},\n",
       "   {'id': 'GO:0032099',\n",
       "    'name': 'negative regulation of appetite',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D006943', 'name': 'Hyperglycemia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D007444',\n",
       "    'target': 'GO:0032099',\n",
       "    'key': 'ASSOCIATED_WITH'},\n",
       "   {'source': 'GO:0032099', 'target': 'MESH:D006943', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'protriptyline',\n",
       "   'disease': 'Major depressive disorder',\n",
       "   'drugbank': 'DB00344',\n",
       "   'drug_mesh': 'MESH:D011530',\n",
       "   'disease_mesh': 'MESH:D003865'},\n",
       "  'nodes': [{'id': 'MESH:D011530', 'name': 'protriptyline', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P23975',\n",
       "    'name': 'Sodium dependent noradrenaline transporter',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'MESH:D009638', 'name': 'noradrenaline', 'label': 'Compound'},\n",
       "   {'id': 'GO:0023041',\n",
       "    'name': 'Neuronal activation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003865',\n",
       "    'name': 'Major depressive disorder',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D011530',\n",
       "    'target': 'UniProt:P23975',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P23975', 'target': 'MESH:D009638', 'key': 'REDUCES'},\n",
       "   {'source': 'MESH:D009638', 'target': 'GO:0023041', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0023041', 'target': 'MESH:D003865', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'lafutidine',\n",
       "   'disease': 'Gastroesophageal Reflux',\n",
       "   'drugbank': 'DB12770',\n",
       "   'drug_mesh': 'MESH:C076948',\n",
       "   'disease_mesh': 'MESH:D005764'},\n",
       "  'nodes': [{'id': 'MESH:C076948', 'name': 'lafutidine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P25021',\n",
       "    'name': 'Histamine H2 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0001696',\n",
       "    'name': 'Gastric acid secretion',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D005764',\n",
       "    'name': 'Gastroesophageal Reflux',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C076948',\n",
       "    'target': 'UniProt:P25021',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P25021', 'target': 'GO:0001696', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0001696', 'target': 'MESH:D005764', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'erythromycin',\n",
       "   'disease': 'Listeriosis',\n",
       "   'drugbank': 'DB00199',\n",
       "   'drug_mesh': 'MESH:D004917',\n",
       "   'disease_mesh': 'MESH:D008088'},\n",
       "  'nodes': [{'id': 'MESH:D004917', 'name': 'erythromycin', 'label': 'Drug'},\n",
       "   {'id': 'MESH:D012338', 'name': '23S Ribosomal RNA', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Translation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1637', 'name': 'Listeria spp.', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D008088', 'name': 'Listeriosis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D004917',\n",
       "    'target': 'MESH:D012338',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'MESH:D012338', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412', 'target': 'NCBITaxon:1637', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1637', 'target': 'MESH:D008088', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'landiolol',\n",
       "   'disease': 'Tachyarrhythmia',\n",
       "   'drugbank': 'DB12212',\n",
       "   'drug_mesh': 'MESH:C077049',\n",
       "   'disease_mesh': 'MESH:D013610'},\n",
       "  'nodes': [{'id': 'MESH:C077049', 'name': 'landiolol', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P08588',\n",
       "    'name': 'Beta-1 adrenergic receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0045823',\n",
       "    'name': 'positive regulation of heart contraction',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D013610', 'name': 'Tachyarrhythmia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C077049',\n",
       "    'target': 'UniProt:P08588',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P08588', 'target': 'GO:0045823', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0045823', 'target': 'MESH:D013610', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'levocabastine',\n",
       "   'disease': 'Allergic conjunctivitis',\n",
       "   'drugbank': 'DB01106',\n",
       "   'drug_mesh': 'MESH:C047340',\n",
       "   'disease_mesh': 'MESH:D003233'},\n",
       "  'nodes': [{'id': 'MESH:C047340', 'name': 'levocabastine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35367',\n",
       "    'name': 'histamine H1 Receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0034776',\n",
       "    'name': 'response to histamine',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003233',\n",
       "    'name': 'Allergic conjunctivitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C047340',\n",
       "    'target': 'UniProt:P35367',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P35367', 'target': 'GO:0034776', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0034776', 'target': 'MESH:D003233', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'acenocoumarol',\n",
       "   'disease': 'Pulmonary Embolism',\n",
       "   'drugbank': 'DB01418',\n",
       "   'drug_mesh': 'MESH:D000074',\n",
       "   'disease_mesh': 'MESH:D011655'},\n",
       "  'nodes': [{'id': 'MESH:D000074', 'name': 'acenocoumarol', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q9BQB6', 'name': 'vitamin k reductase', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D014812',\n",
       "    'name': 'Reduced Vitamin k2 (vkH2)',\n",
       "    'label': 'Compound'},\n",
       "   {'id': 'GO:0007596',\n",
       "    'name': 'Clotting Factor Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D011655', 'name': 'Pulmonary Embolism', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000074',\n",
       "    'target': 'UniProt:Q9BQB6',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q9BQB6', 'target': 'MESH:D014812', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D014812', 'target': 'GO:0007596', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0007596',\n",
       "    'target': 'MESH:D011655',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'dexamethasone acetate',\n",
       "   'disease': 'Multiple meyloma',\n",
       "   'drugbank': 'DB14649',\n",
       "   'drug_mesh': 'MESH:C018038',\n",
       "   'disease_mesh': 'MESH:D009101'},\n",
       "  'nodes': [{'id': 'MESH:C018038',\n",
       "    'name': 'dexamethasone acetate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P04150',\n",
       "    'name': 'Glucocorticoid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'UniProt:P04083', 'name': 'annexin A1', 'label': 'Protein'},\n",
       "   {'id': 'UniProt:P47712', 'name': 'Phospholipase a2', 'label': 'Protein'},\n",
       "   {'id': 'GO:0019370',\n",
       "    'name': 'leukotriene biosysntesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D009101', 'name': 'Multiple meyloma', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C018038',\n",
       "    'target': 'UniProt:P04150',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P04150',\n",
       "    'target': 'UniProt:P04083',\n",
       "    'key': 'UP_REGULATES'},\n",
       "   {'source': 'UniProt:P04083',\n",
       "    'target': 'UniProt:P47712',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'UniProt:P47712', 'target': 'GO:0019370', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0019370',\n",
       "    'target': 'MESH:D009101',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'metolazone',\n",
       "   'disease': 'Hypertension',\n",
       "   'drugbank': 'DB00524',\n",
       "   'drug_mesh': 'MESH:D008788',\n",
       "   'disease_mesh': 'MESH:D006973'},\n",
       "  'nodes': [{'id': 'MESH:D008788', 'name': 'metolazone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P55017',\n",
       "    'name': 'Solute carrier family 12 member 3',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0055078',\n",
       "    'name': 'Sodium Ion Homeostasis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D006973', 'name': 'Hypertension', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D008788',\n",
       "    'target': 'UniProt:P55017',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P55017', 'target': 'GO:0055078', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0055078', 'target': 'MESH:D006973', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'sincalide',\n",
       "   'disease': 'GallBladder Diseases (Diagnostic)',\n",
       "   'drugbank': 'DB09142',\n",
       "   'drug_mesh': 'MESH:D012844',\n",
       "   'disease_mesh': 'MESH:D005705'},\n",
       "  'nodes': [{'id': 'MESH:D012844', 'name': 'sincalide', 'label': 'Drug'},\n",
       "   {'id': 'GO:0032782',\n",
       "    'name': 'Bile acid secretion',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D005705',\n",
       "    'name': 'Gallbladder Diseases (Diagnostic)',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D012844',\n",
       "    'target': 'GO:0032782',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'GO:0032782', 'target': 'MESH:D005705', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'gepirone',\n",
       "   'disease': 'Major depressive disorder',\n",
       "   'drugbank': 'DB12184',\n",
       "   'drug_mesh': 'MESH:C039979',\n",
       "   'disease_mesh': 'MESH:D003865'},\n",
       "  'nodes': [{'id': 'MESH:C039979', 'name': 'gepirone', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P08908',\n",
       "    'name': '5-HT1a receptor (serotonin 1A)',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0050795',\n",
       "    'name': 'regulation of behavior',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003865',\n",
       "    'name': 'Major depressive disorder',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C039979',\n",
       "    'target': 'UniProt:P08908',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P08908', 'target': 'GO:0050795', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0050795', 'target': 'MESH:D003865', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'tramadol',\n",
       "   'disease': 'Pain',\n",
       "   'drugbank': 'DB00193',\n",
       "   'drug_mesh': 'MESH:D014147',\n",
       "   'disease_mesh': 'MESH:D010146'},\n",
       "  'nodes': [{'id': 'MESH:D014147', 'name': 'tramadol', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P35372',\n",
       "    'name': 'Mu-type opioid receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0019233',\n",
       "    'name': 'sensory perception',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D010146', 'name': 'Pain', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D014147',\n",
       "    'target': 'UniProt:P35372',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P35372',\n",
       "    'target': 'GO:0019233',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0019233', 'target': 'MESH:D010146', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'trimethadione',\n",
       "   'disease': 'Absence seizure',\n",
       "   'drugbank': 'DB00347',\n",
       "   'drug_mesh': 'MESH:D014293',\n",
       "   'disease_mesh': 'MESH:D004832'},\n",
       "  'nodes': [{'id': 'MESH:D014293', 'name': 'trimethadione', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:O43497',\n",
       "    'name': 'voltage dependent T-type calcium channel subunit alpha-1G',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0007268 ',\n",
       "    'name': 'corticothalamic transmission',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D004832', 'name': 'Absence seizure', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D014293',\n",
       "    'target': 'UniProt:O43497',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:O43497', 'target': 'GO:0007268 ', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0007268 ', 'target': 'MESH:D004832', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'apalutamide',\n",
       "   'disease': 'Nonmetastatic prostate cancer',\n",
       "   'drugbank': 'DB11901',\n",
       "   'drug_mesh': 'MESH:C572045',\n",
       "   'disease_mesh': 'MESH:D011471'},\n",
       "  'nodes': [{'id': 'MESH:C572045', 'name': 'apalutamide', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P10275', 'name': 'androgen receptor', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006351',\n",
       "    'name': 'gene transcription',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cell proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D011471',\n",
       "    'name': 'Nonmetastatic prostate cancer',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C572045',\n",
       "    'target': 'UniProt:P10275',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P10275', 'target': 'GO:0006351', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006351', 'target': 'GO:0008283', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D011471', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'apalutamide',\n",
       "   'disease': 'Nonmetastatic prostate cancer',\n",
       "   'drugbank': 'DB11901',\n",
       "   'drug_mesh': 'MESH:C572045',\n",
       "   'disease_mesh': 'MESH:D011471'},\n",
       "  'nodes': [{'id': 'MESH:C572045', 'name': 'apalutamide', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P10275', 'name': 'androgen receptor', 'label': 'Protein'},\n",
       "   {'id': 'GO:0006351',\n",
       "    'name': 'gene transcription',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cell proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D011471',\n",
       "    'name': 'Nonmetastatic prostate cancer',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C572045',\n",
       "    'target': 'UniProt:P10275',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P10275', 'target': 'GO:0006351', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0006351', 'target': 'GO:0008283', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D011471', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'asfotase alfa',\n",
       "   'disease': 'Hypophosphatasia',\n",
       "   'drugbank': 'DB09105',\n",
       "   'drug_mesh': 'MESH:C570710',\n",
       "   'disease_mesh': 'MESH:D007014'},\n",
       "  'nodes': [{'id': 'MESH:C570710', 'name': 'asfotase alfa', 'label': 'Drug'},\n",
       "   {'id': 'MESH:C107241',\n",
       "    'name': 'inorgainc pyrophosphate',\n",
       "    'label': 'Compound'},\n",
       "   {'id': 'GO:0030282',\n",
       "    'name': 'hydroxpatite crystal growth',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'HP:0004349',\n",
       "    'name': 'Reduced bone mineral density',\n",
       "    'label': 'Phenotype'},\n",
       "   {'id': 'MESH:D007014', 'name': 'Hypophosphatasia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C570710',\n",
       "    'target': 'MESH:C107241',\n",
       "    'key': 'REDUCES'},\n",
       "   {'source': 'MESH:C107241', 'target': 'GO:0030282', 'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0030282', 'target': 'HP:0004349', 'key': 'CAUSES'},\n",
       "   {'source': 'HP:0004349', 'target': 'MESH:D007014', 'key': 'PRESENTED_BY'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'aminoglutethimide',\n",
       "   'disease': 'Secondary malignant neoplasm of female breast ',\n",
       "   'drugbank': 'DB00357',\n",
       "   'drug_mesh': 'MESH:D000616',\n",
       "   'disease_mesh': 'MESH:D001943'},\n",
       "  'nodes': [{'id': 'MESH:D000616',\n",
       "    'name': 'aminoglutethimide',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P11511', 'name': 'aromatase', 'label': 'Protein'},\n",
       "   {'id': 'MESH:D004967', 'name': 'estrogen', 'label': 'Compound'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cell proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D001943',\n",
       "    'name': 'Secondary malignant neoplasm of female breast',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000616',\n",
       "    'target': 'UniProt:P11511',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P11511', 'target': 'MESH:D004967', 'key': 'PRODUCES'},\n",
       "   {'source': 'MESH:D004967', 'target': 'GO:0008283', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D001943', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'glutamine',\n",
       "   'disease': 'Short bowel syndrome',\n",
       "   'drugbank': 'DB00130',\n",
       "   'drug_mesh': 'MESH:D005973',\n",
       "   'disease_mesh': 'MESH:D012778'},\n",
       "  'nodes': [{'id': 'MESH:D005973', 'name': 'glutamine', 'label': 'Drug'},\n",
       "   {'id': 'CL:0000584', 'name': 'enterocytes', 'label': 'Cell Type'},\n",
       "   {'id': 'GO:0050892',\n",
       "    'name': 'intestinal nutrient absorption',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012778', 'name': 'Short bowel syndrome', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005973',\n",
       "    'target': 'CL:0000584',\n",
       "    'key': 'STIMULATES'},\n",
       "   {'source': 'CL:0000584', 'target': 'GO:0050892', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0050892', 'target': 'MESH:D012778', 'key': 'DISRUPTED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'chloramphenicol succinate',\n",
       "   'disease': 'Typhoid fever ',\n",
       "   'drugbank': 'DB07565',\n",
       "   'drug_mesh': 'MESH:C026016',\n",
       "   'disease_mesh': 'MESH:D014435'},\n",
       "  'nodes': [{'id': 'MESH:C026016',\n",
       "    'name': 'chloramphenicol succinate',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'UniProt:P0A298',\n",
       "    'name': '50S ribosomal subunit',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0006412',\n",
       "    'name': 'Bacterial Protein Synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:90370', 'name': 'Salmonella typhi', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D014435', 'name': 'Typhoid fever', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C026016',\n",
       "    'target': 'UniProt:P0A298',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P0A298', 'target': 'GO:0006412', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0006412',\n",
       "    'target': 'NCBITaxon:90370',\n",
       "    'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:90370', 'target': 'MESH:D014435', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'allantoin',\n",
       "   'disease': 'Seborrheic dermatitis',\n",
       "   'drugbank': 'DB11100',\n",
       "   'drug_mesh': 'MESH:D000481',\n",
       "   'disease_mesh': 'MESH:D012628'},\n",
       "  'nodes': [{'id': 'MESH:D000481', 'name': 'allantoin', 'label': 'Drug'},\n",
       "   {'id': 'GO:0042060',\n",
       "    'name': 'fibroblast proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D012628',\n",
       "    'name': 'Seborrheic dermatitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000481',\n",
       "    'target': 'GO:0042060',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'GO:0042060', 'target': 'MESH:D012628', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'epoetin theta',\n",
       "   'disease': 'Anemia',\n",
       "   'drugbank': 'DB00016',\n",
       "   'drug_mesh': 'MESH:C555712',\n",
       "   'disease_mesh': 'MESH:D000740'},\n",
       "  'nodes': [{'id': 'MESH:C555712', 'name': 'epoetin theta', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P19235',\n",
       "    'name': 'erythropoietin receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0030218',\n",
       "    'name': 'erythrocyte differentiation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'CL:0000232', 'name': 'erythrocytes', 'label': 'Cell Type'},\n",
       "   {'id': 'MESH:D000740', 'name': 'Anemia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C555712',\n",
       "    'target': 'UniProt:P19235',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P19235', 'target': 'GO:0030218', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0030218', 'target': 'CL:0000232', 'key': 'PRODUCES'},\n",
       "   {'source': 'CL:0000232', 'target': 'MESH:D000740', 'key': 'REDUCED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'sulfasalazine',\n",
       "   'disease': 'Ulcerative Colitis',\n",
       "   'drugbank': 'DB00795',\n",
       "   'drug_mesh': 'MESH:D012460',\n",
       "   'disease_mesh': 'MESH:D003093'},\n",
       "  'nodes': [{'id': 'MESH:D012460', 'name': 'sulfasalazine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P09917',\n",
       "    'name': 'Arachidonate 5-lipoxygenase',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0019370',\n",
       "    'name': 'leukotriene biosynthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0006954',\n",
       "    'name': 'inflammatory response',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003093', 'name': 'Ulcerative Colitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D012460',\n",
       "    'target': 'UniProt:P09917',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P09917', 'target': 'GO:0019370', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0019370', 'target': 'GO:0006954', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D003093', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'sulfasalazine',\n",
       "   'disease': 'Ulcerative Colitis',\n",
       "   'drugbank': 'DB00795',\n",
       "   'drug_mesh': 'MESH:D012460',\n",
       "   'disease_mesh': 'MESH:D003093'},\n",
       "  'nodes': [{'id': 'MESH:D012460', 'name': 'sulfasalazine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P09917',\n",
       "    'name': 'Arachidonate 5-lipoxygenase',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0019370',\n",
       "    'name': 'leukotriene biosynthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0006954',\n",
       "    'name': 'inflammatory response',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003093', 'name': 'Ulcerative Colitis', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D012460',\n",
       "    'target': 'UniProt:P09917',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P09917', 'target': 'GO:0019370', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'GO:0019370', 'target': 'GO:0006954', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0006954', 'target': 'MESH:D003093', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'foscarnet',\n",
       "   'disease': 'Cytomegalovirus Retinitis',\n",
       "   'drugbank': 'DB00529',\n",
       "   'drug_mesh': 'MESH:D017245',\n",
       "   'disease_mesh': 'MESH:D017726'},\n",
       "  'nodes': [{'id': 'MESH:D017245', 'name': 'foscarnet', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P08546',\n",
       "    'name': 'viral DNA Polymerase',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0039693',\n",
       "    'name': 'viral DNA replication',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:10358', 'name': 'Cytomegalovirus', 'label': 'Taxon'},\n",
       "   {'id': 'MESH:D017726',\n",
       "    'name': 'Cytomegalovirus Retinitis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D017245',\n",
       "    'target': 'UniProt:P08546',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P08546', 'target': 'GO:0039693', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0039693',\n",
       "    'target': 'NCBITaxon:10358',\n",
       "    'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:10358', 'target': 'MESH:D017726', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'pegaspargase',\n",
       "   'disease': 'Acute lymphoblastic leukemia',\n",
       "   'drugbank': 'DB00059',\n",
       "   'drug_mesh': 'MESH:C042705',\n",
       "   'disease_mesh': 'MESH:D054198'},\n",
       "  'nodes': [{'id': 'MESH:C042705', 'name': 'pegaspargase', 'label': 'Drug'},\n",
       "   {'id': 'MESH:D001216',\n",
       "    'name': 'extracellular asparagine',\n",
       "    'label': 'Compound'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'cellular proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D054198',\n",
       "    'name': 'Acute lymphoblastic leukemia',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C042705',\n",
       "    'target': 'MESH:D001216',\n",
       "    'key': 'REDUCES'},\n",
       "   {'source': 'MESH:D001216', 'target': 'GO:0008283', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D054198', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'rifapentine',\n",
       "   'disease': 'Pulmonary tuberculosis',\n",
       "   'drugbank': 'DB01201',\n",
       "   'drug_mesh': 'MESH:C018421',\n",
       "   'disease_mesh': 'MESH:D014397'},\n",
       "  'nodes': [{'id': 'MESH:C018421', 'name': 'rifapentine', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P9WGY7',\n",
       "    'name': 'DNA-directed RNA polymerase subunit beta',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0032774',\n",
       "    'name': 'RNA synthesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:1773',\n",
       "    'name': 'Mycobacterium tuberculosis infection',\n",
       "    'label': 'Taxon'},\n",
       "   {'id': 'MESH:D014397',\n",
       "    'name': 'Pulmonary tuberculosis',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C018421',\n",
       "    'target': 'UniProt:P9WGY7',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P9WGY7', 'target': 'GO:0032774', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0032774', 'target': 'NCBITaxon:1773', 'key': 'REQUIRED_FOR'},\n",
       "   {'source': 'NCBITaxon:1773', 'target': 'MESH:D014397', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'trichloroacetic acid',\n",
       "   'disease': 'Condyloma acuminatum',\n",
       "   'drugbank': 'DB11152',\n",
       "   'drug_mesh': 'MESH:D014238',\n",
       "   'disease_mesh': 'MESH:D003218'},\n",
       "  'nodes': [{'id': 'MESH:D014238',\n",
       "    'name': 'trichloroacetic acid',\n",
       "    'label': 'Drug'},\n",
       "   {'id': 'GO:0070265',\n",
       "    'name': 'necrotic cell death',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D003218', 'name': 'Condyloma acuminatum', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D014238',\n",
       "    'target': 'GO:0070265',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'GO:0070265', 'target': 'MESH:D003218', 'key': 'REDUCES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'glutethimide',\n",
       "   'disease': 'Insomnia',\n",
       "   'drugbank': 'DB01437',\n",
       "   'drug_mesh': 'MESH:D005984',\n",
       "   'disease_mesh': 'MESH:D007319'},\n",
       "  'nodes': [{'id': 'MESH:D005984', 'name': 'glutethimide', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:P14867',\n",
       "    'name': 'Gamma-aminobutyric acid receptor subunit alpha-1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:1904862',\n",
       "    'name': 'inhibitory synapse assembly',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D007319', 'name': 'Insomnia', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D005984',\n",
       "    'target': 'UniProt:P14867',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:P14867', 'target': 'GO:1904862', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:1904862',\n",
       "    'target': 'MESH:D007319',\n",
       "    'key': 'ASSOCIATED_WITH'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'afamelanotide',\n",
       "   'disease': 'erythropoietic protoporphyria',\n",
       "   'drugbank': 'DB04931',\n",
       "   'drug_mesh': 'MESH:C534526',\n",
       "   'disease_mesh': 'MESH:D046351'},\n",
       "  'nodes': [{'id': 'MESH:C534526', 'name': 'afamelanotide', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q01726',\n",
       "    'name': 'Melanocyte-stimulating hormone receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0042438',\n",
       "    'name': 'melanogenesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:C041877', 'name': 'eumelanin', 'label': 'Compound'},\n",
       "   {'id': 'GO:0009650',\n",
       "    'name': 'UV protection',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'CHEBI:26523',\n",
       "    'name': 'reative oxygen species',\n",
       "    'label': 'Compound Class'},\n",
       "   {'id': 'MESH:C028025', 'name': 'protoporphyrin IX', 'label': 'Compound'},\n",
       "   {'id': 'MESH:D046351',\n",
       "    'name': 'erythropoietic protoporphyria',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C534526',\n",
       "    'target': 'UniProt:Q01726',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:Q01726', 'target': 'GO:0042438', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0042438', 'target': 'MESH:C041877', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'MESH:C041877', 'target': 'GO:0009650', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0009650', 'target': 'CHEBI:26523', 'key': 'REDUCES'},\n",
       "   {'source': 'CHEBI:26523', 'target': 'MESH:C028025', 'key': 'INCREASED_BY'},\n",
       "   {'source': 'MESH:C028025',\n",
       "    'target': 'MESH:D046351',\n",
       "    'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'afamelanotide',\n",
       "   'disease': 'erythropoietic protoporphyria',\n",
       "   'drugbank': 'DB04931',\n",
       "   'drug_mesh': 'MESH:C534526',\n",
       "   'disease_mesh': 'MESH:D046351'},\n",
       "  'nodes': [{'id': 'MESH:C534526', 'name': 'afamelanotide', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q01726',\n",
       "    'name': 'Melanocyte-stimulating hormone receptor',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0042438',\n",
       "    'name': 'melanogenesis',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:C041877', 'name': 'eumelanin', 'label': 'Compound'},\n",
       "   {'id': 'GO:0009650',\n",
       "    'name': 'UV protection',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'CHEBI:26523',\n",
       "    'name': 'reative oxygen species',\n",
       "    'label': 'Compound Class'},\n",
       "   {'id': 'MESH:C028025', 'name': 'protoporphyrin IX', 'label': 'Compound'},\n",
       "   {'id': 'MESH:D046351',\n",
       "    'name': 'erythropoietic protoporphyria',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C534526',\n",
       "    'target': 'UniProt:Q01726',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'UniProt:Q01726', 'target': 'GO:0042438', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0042438', 'target': 'MESH:C041877', 'key': 'UP_REGULATES'},\n",
       "   {'source': 'MESH:C041877', 'target': 'GO:0009650', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0009650', 'target': 'CHEBI:26523', 'key': 'REDUCES'},\n",
       "   {'source': 'CHEBI:26523', 'target': 'MESH:C028025', 'key': 'INCREASED_BY'},\n",
       "   {'source': 'MESH:C028025',\n",
       "    'target': 'MESH:D046351',\n",
       "    'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ivermectin',\n",
       "   'disease': 'Onchocerciasis',\n",
       "   'drugbank': 'DB00602',\n",
       "   'drug_mesh': 'MESH:D007559',\n",
       "   'disease_mesh': 'MESH:D009855'},\n",
       "  'nodes': [{'id': 'MESH:D007559', 'name': 'ivermectin', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR015680',\n",
       "    'name': 'glutimate-gated chloride channels',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'CHEBI:17996', 'name': 'chloride ion', 'label': 'Compound'},\n",
       "   {'id': 'GO:0060081',\n",
       "    'name': 'membrane hyperpolarization',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D010243', 'name': 'Paralysis', 'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:6282', 'name': 'Onchocerca volvulus', 'label': 'Disease'},\n",
       "   {'id': 'MESH:D009855', 'name': 'Onchocerciasis', 'label': None}],\n",
       "  'links': [{'source': 'MESH:D007559',\n",
       "    'target': 'InterPro:IPR015680',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'InterPro:IPR015680',\n",
       "    'target': 'CHEBI:17996',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'CHEBI:17996', 'target': 'GO:0060081', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0060081', 'target': 'MESH:D010243', 'key': 'CAUSES'},\n",
       "   {'source': 'MESH:D010243', 'target': 'NCBITaxon:6282', 'key': 'REDUCES'},\n",
       "   {'source': 'NCBITaxon:6282', 'target': 'MESH:D009855', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'ivermectin',\n",
       "   'disease': 'Onchocerciasis',\n",
       "   'drugbank': 'DB00602',\n",
       "   'drug_mesh': 'MESH:D007559',\n",
       "   'disease_mesh': 'MESH:D009855'},\n",
       "  'nodes': [{'id': 'MESH:D007559', 'name': 'ivermectin', 'label': 'Drug'},\n",
       "   {'id': 'InterPro:IPR015680',\n",
       "    'name': 'glutimate-gated chloride channels',\n",
       "    'label': 'Protein Family'},\n",
       "   {'id': 'CHEBI:17996', 'name': 'chloride ion', 'label': 'Compound'},\n",
       "   {'id': 'GO:0060081',\n",
       "    'name': 'membrane hyperpolarization',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D010243', 'name': 'Paralysis', 'label': 'Biological Process'},\n",
       "   {'id': 'NCBITaxon:6282', 'name': 'Onchocerca volvulus', 'label': 'Disease'},\n",
       "   {'id': 'MESH:D009855', 'name': 'Onchocerciasis', 'label': None}],\n",
       "  'links': [{'source': 'MESH:D007559',\n",
       "    'target': 'InterPro:IPR015680',\n",
       "    'key': 'ACTIVATES'},\n",
       "   {'source': 'InterPro:IPR015680',\n",
       "    'target': 'CHEBI:17996',\n",
       "    'key': 'INCREASES'},\n",
       "   {'source': 'CHEBI:17996', 'target': 'GO:0060081', 'key': 'PART_OF'},\n",
       "   {'source': 'GO:0060081', 'target': 'MESH:D010243', 'key': 'CAUSES'},\n",
       "   {'source': 'MESH:D010243', 'target': 'NCBITaxon:6282', 'key': 'REDUCES'},\n",
       "   {'source': 'NCBITaxon:6282', 'target': 'MESH:D009855', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'cobicistat',\n",
       "   'disease': 'HIV infection',\n",
       "   'drugbank': 'DB09065',\n",
       "   'drug_mesh': 'MESH:D000069547',\n",
       "   'disease_mesh': 'MESH:D015658'},\n",
       "  'nodes': [{'id': 'MESH:D000069547', 'name': 'cobicistat', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q9HB55',\n",
       "    'name': 'cytochrome P450 3A (CYP3A) isoforms',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'MESH:D000069446', 'name': 'atazanavir', 'label': 'Compound'},\n",
       "   {'id': 'UniProt:P04585', 'name': 'Gag-Pol polyprotein', 'label': 'Protein'},\n",
       "   {'id': 'GO:0019068',\n",
       "    'name': 'Viral Assembly',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D015658', 'name': 'HIV infection', 'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:D000069547',\n",
       "    'target': 'UniProt:Q9HB55',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q9HB55', 'target': 'MESH:D000069446', 'key': 'REDUCES'},\n",
       "   {'source': 'MESH:D000069446',\n",
       "    'target': 'UniProt:P04585',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:P04585', 'target': 'GO:0019068', 'key': 'INVOLVED_IN'},\n",
       "   {'source': 'GO:0019068', 'target': 'MESH:D015658', 'key': 'CAUSES'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'avelumab',\n",
       "   'disease': 'Merkel cell carcinoma',\n",
       "   'drugbank': 'DB11945',\n",
       "   'drug_mesh': 'MESH:C000609138',\n",
       "   'disease_mesh': 'MESH:D015266'},\n",
       "  'nodes': [{'id': 'MESH:C000609138', 'name': 'avelumab', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q9NZQ7',\n",
       "    'name': 'Programmed cell death 1 ligand 1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0036037',\n",
       "    'name': 'Cytotoxic T-Cell activity',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cell proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D015266',\n",
       "    'name': 'Merkel cell carcinoma',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C000609138',\n",
       "    'target': 'UniProt:Q9NZQ7',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q9NZQ7',\n",
       "    'target': 'GO:0036037',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0036037', 'target': 'GO:0008283', 'key': 'REDUCES'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D015266', 'key': 'ELEVATED_IN'}]},\n",
       " {'directed': True,\n",
       "  'multigraph': True,\n",
       "  'graph': {'drug': 'avelumab',\n",
       "   'disease': 'Merkel cell carcinoma',\n",
       "   'drugbank': 'DB11945',\n",
       "   'drug_mesh': 'MESH:C000609138',\n",
       "   'disease_mesh': 'MESH:D015266'},\n",
       "  'nodes': [{'id': 'MESH:C000609138', 'name': 'avelumab', 'label': 'Drug'},\n",
       "   {'id': 'UniProt:Q9NZQ7',\n",
       "    'name': 'Programmed cell death 1 ligand 1',\n",
       "    'label': 'Protein'},\n",
       "   {'id': 'GO:0036037',\n",
       "    'name': 'Cytotoxic T-Cell activity',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'GO:0008283',\n",
       "    'name': 'Cell proliferation',\n",
       "    'label': 'Biological Process'},\n",
       "   {'id': 'MESH:D015266',\n",
       "    'name': 'Merkel cell carcinoma',\n",
       "    'label': 'Disease'}],\n",
       "  'links': [{'source': 'MESH:C000609138',\n",
       "    'target': 'UniProt:Q9NZQ7',\n",
       "    'key': 'INHIBITS'},\n",
       "   {'source': 'UniProt:Q9NZQ7',\n",
       "    'target': 'GO:0036037',\n",
       "    'key': 'DOWN_REGULATES'},\n",
       "   {'source': 'GO:0036037', 'target': 'GO:0008283', 'key': 'REDUCES'},\n",
       "   {'source': 'GO:0008283', 'target': 'MESH:D015266', 'key': 'ELEVATED_IN'}]}]"
      ]
     },
     "execution_count": 26,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "bp_paths"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "id": "05647ab6",
   "metadata": {},
   "outputs": [],
   "source": [
    "# read a json as a dict\n",
    "with open(osp.join(MAPPING_DIR, 'uniprot2ncbi.json')) as fl:\n",
    "    uniprot2ncbi = json.load(fl)\n",
    "\n",
    "with open(osp.join(MAPPING_DIR, 'drug_id_mapping.json')) as fl:\n",
    "    drug_id_mapping = json.load(fl)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 28,
   "id": "7de90621",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "63"
      ]
     },
     "execution_count": 28,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(drug_id_mapping)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "9e7a09d4",
   "metadata": {},
   "source": [
    "Using these dictionaries, we'll map the nodes to the ontologies used in the KG:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 29,
   "id": "9c4389c3",
   "metadata": {},
   "outputs": [],
   "source": [
    "def map_node(node):\n",
    "    if node['label'] == 'Drug' and node['name'] in drug_id_mapping:\n",
    "        return drug_id_mapping[node['name']]\n",
    "    elif node['label'] == 'Protein' and node['id'] in uniprot2ncbi:\n",
    "        return uniprot2ncbi[node['id']]\n",
    "    else:\n",
    "        return node['id']"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "46523a4c",
   "metadata": {},
   "source": [
    "Now, get a dictionary of the nodes and relations in each MOA:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "id": "1adaadef",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "53"
      ]
     },
     "execution_count": 30,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "validation_moas = defaultdict(lambda: {'nodes': None, 'relations': None})\n",
    "not_mapped = set()\n",
    "for path in data_json:\n",
    "    # map the drug name to its pubchem ID\n",
    "    if path['nodes'][0]['name'] not in drug_id_mapping:\n",
    "        not_mapped.add(path['nodes'][0]['name'])\n",
    "        continue\n",
    "    start_node = drug_id_mapping[path['nodes'][0]['name']]\n",
    "    for count, node in enumerate(path['nodes']):\n",
    "        # if any node is BP,\n",
    "        if node['label'] == 'Biological Process':\n",
    "            end_node = path['nodes'][count]['id']\n",
    "            # record those MOAs\n",
    "            validation_moas[(start_node, end_node)]['nodes'] = [map_node(i) for i in path['nodes'][0:len(path['nodes'])-1]]\n",
    "            validation_moas[(start_node, end_node)]['relations'] = [i['key'] for i in path['links'][0:len(path['links'])-1]]\n",
    "\n",
    "len(validation_moas)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "5dcd42e5",
   "metadata": {},
   "source": [
    "DRUG - PROT - BP - PROT - BP"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "id": "e0dfc8eb",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "53"
      ]
     },
     "execution_count": 31,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(validation_moas.keys())"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "9b57a21b",
   "metadata": {},
   "source": [
    "Does it look how we want it to?\n",
    "\n",
    "- The keys are tuples comprising a pair of (drug, GO BP)\n",
    "- The values are dictionaries containing:\n",
    "    - nodes: a sequence of nodes in the MOA\n",
    "    - relations: a sequence of relation types in the MOA, which might not necessarily correspond to those in the KG:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 32,
   "id": "b677ccfa",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{('pubchem.compound:5291',\n",
       "  'GO:0008283'): {'nodes': ['pubchem.compound:5291',\n",
       "   'ncbigene:5156',\n",
       "   'GO:0008283'], 'relations': ['INHIBITS', 'UP_REGULATES']},\n",
       " ('pubchem.compound:1983',\n",
       "  'GO:0001659'): {'nodes': ['pubchem.compound:1983',\n",
       "   'REACT:R-HSA-2162123',\n",
       "   'UBERON:0000955',\n",
       "   'GO:0001659'], 'relations': ['INHIBITS', 'LOCALIZED_TO', 'REGULATES']},\n",
       " ('pubchem.compound:2244',\n",
       "  'GO:0007596'): {'nodes': ['pubchem.compound:2244',\n",
       "   'ncbigene:5742',\n",
       "   'GO:0007596'], 'relations': ['INHIBITS', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:156391',\n",
       "  'GO:0006954'): {'nodes': ['pubchem.compound:156391',\n",
       "   'ncbigene:5743',\n",
       "   'MESH:D011453',\n",
       "   'GO:0006954'], 'relations': ['INHIBITS', 'PRODUCES', 'PART_OF']},\n",
       " ('pubchem.compound:5745',\n",
       "  'GO:0006954'): {'nodes': ['pubchem.compound:5745',\n",
       "   'ncbigene:2908',\n",
       "   'ncbigene:5742',\n",
       "   'MESH:D011453',\n",
       "   'GO:0006954'], 'relations': ['ACTIVATES',\n",
       "   'DOWN_REGULATES',\n",
       "   'PRODUCES',\n",
       "   'PART_OF']},\n",
       " ('pubchem.compound:5743',\n",
       "  'GO:0006954'): {'nodes': ['pubchem.compound:5743',\n",
       "   'ncbigene:2908',\n",
       "   'ncbigene:301',\n",
       "   'REACT:R-HSA-2162123',\n",
       "   'GO:0006954'], 'relations': ['ACTIVATES',\n",
       "   'UP_REGULATES',\n",
       "   'DOWN_REGULATES',\n",
       "   'UP_REGULATES']},\n",
       " ('pubchem.compound:4826',\n",
       "  'GO:0042311'): {'nodes': ['pubchem.compound:4826',\n",
       "   'ncbigene:3778',\n",
       "   'GO:0042311',\n",
       "   'GO:0008217'], 'relations': ['ACTIVATES',\n",
       "   'INVOLVED_IN',\n",
       "   'ASSOCIATED_WITH']},\n",
       " ('pubchem.compound:4826',\n",
       "  'GO:0008217'): {'nodes': ['pubchem.compound:4826',\n",
       "   'ncbigene:3778',\n",
       "   'GO:0042311',\n",
       "   'GO:0008217'], 'relations': ['ACTIVATES',\n",
       "   'INVOLVED_IN',\n",
       "   'ASSOCIATED_WITH']},\n",
       " ('pubchem.compound:2200',\n",
       "  'GO:0034776'): {'nodes': ['pubchem.compound:2200',\n",
       "   'ncbigene:3269',\n",
       "   'GO:0034776'], 'relations': ['INHIBITS', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:149096',\n",
       "  'GO:0006260'): {'nodes': ['pubchem.compound:149096',\n",
       "   'ncbigene:7153',\n",
       "   'GO:0006260',\n",
       "   'NCBITaxon:562'], 'relations': ['INHIBITS', 'INVOLVED_IN', 'REQUIRED_FOR']},\n",
       " ('pubchem.compound:444036',\n",
       "  'GO:0006954'): {'nodes': ['pubchem.compound:444036',\n",
       "   'ncbigene:2908',\n",
       "   'ncbigene:3586',\n",
       "   'GO:0006954'], 'relations': ['ACTIVATES',\n",
       "   'UP_REGULATES',\n",
       "   'DOWN_REGULATES']},\n",
       " ('pubchem.compound:3372',\n",
       "  'GO:0030252'): {'nodes': ['pubchem.compound:3372',\n",
       "   'ncbigene:1813',\n",
       "   'GO:0030252'], 'relations': ['INHIBITS', 'UP_REGULATES']},\n",
       " ('pubchem.compound:6230',\n",
       "  'GO:0032275'): {'nodes': ['pubchem.compound:6230',\n",
       "   'ncbigene:5241',\n",
       "   'ncbigene:2796',\n",
       "   'GO:0032275'], 'relations': ['ACTIVATES',\n",
       "   'DOWN_REGULATES',\n",
       "   'DOWN_REGULATES']},\n",
       " ('pubchem.compound:2564',\n",
       "  'GO:0034776'): {'nodes': ['pubchem.compound:2564',\n",
       "   'ncbigene:3269',\n",
       "   'GO:0034776'], 'relations': ['INHIBITS', 'UP_REGULATES']},\n",
       " ('pubchem.compound:54678486',\n",
       "  'GO:0007596'): {'nodes': ['pubchem.compound:54678486',\n",
       "   'ncbigene:79001',\n",
       "   'MESH:D014812',\n",
       "   'GO:0007596'], 'relations': ['INHIBITS', 'PRODUCES', 'PART_OF']},\n",
       " ('pubchem.compound:3957',\n",
       "  'GO:0034776'): {'nodes': ['pubchem.compound:3957',\n",
       "   'ncbigene:3269',\n",
       "   'GO:0034776'], 'relations': ['INHIBITS', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:4636',\n",
       "  'GO:0042310'): {'nodes': ['pubchem.compound:4636',\n",
       "   'ncbigene:148',\n",
       "   'GO:0042310'], 'relations': ['ACTIVATES', 'UP_REGULATES']},\n",
       " ('pubchem.compound:60835',\n",
       "  'GO:0051610'): {'nodes': ['pubchem.compound:60835',\n",
       "   'ncbigene:6532',\n",
       "   'GO:0051610'], 'relations': ['INHIBITS', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:3162',\n",
       "  'GO:0034776'): {'nodes': ['pubchem.compound:3162',\n",
       "   'ncbigene:3269',\n",
       "   'GO:0034776'], 'relations': ['INHIBITS', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:4201',\n",
       "  'GO:0042311'): {'nodes': ['pubchem.compound:4201',\n",
       "   'ncbigene:3758',\n",
       "   'GO:0042311',\n",
       "   'GO:0008217'], 'relations': ['ACTIVATES', 'INVOLVED_IN', 'REDUCES']},\n",
       " ('pubchem.compound:4201',\n",
       "  'GO:0008217'): {'nodes': ['pubchem.compound:4201',\n",
       "   'ncbigene:3758',\n",
       "   'GO:0042311',\n",
       "   'GO:0008217'], 'relations': ['ACTIVATES', 'INVOLVED_IN', 'REDUCES']},\n",
       " ('pubchem.compound:135398744',\n",
       "  'GO:0042311'): {'nodes': ['pubchem.compound:135398744',\n",
       "   'ncbigene:8654',\n",
       "   'MESH:D006152',\n",
       "   'GO:0042311'], 'relations': ['INHIBITS', 'REDUCES', 'PART_OF']},\n",
       " ('pubchem.compound:9782',\n",
       "  'GO:0006954'): {'nodes': ['pubchem.compound:9782',\n",
       "   'ncbigene:2908',\n",
       "   'ncbigene:5321',\n",
       "   'GO:0006954'], 'relations': ['ACTIVATES',\n",
       "   'DOWN_REGULATES',\n",
       "   'UP_REGULATES']},\n",
       " ('pubchem.compound:5380',\n",
       "  'GO:0002553'): {'nodes': ['pubchem.compound:5380',\n",
       "   'GO:0002553'], 'relations': ['INHIBITS']},\n",
       " ('pubchem.compound:6216',\n",
       "  'GO:0006954'): {'nodes': ['pubchem.compound:6216',\n",
       "   'ncbigene:2908',\n",
       "   'ncbigene:5321',\n",
       "   'GO:0006954'], 'relations': ['ACTIVATES',\n",
       "   'DOWN_REGULATES',\n",
       "   'UP_REGULATES']},\n",
       " ('pubchem.compound:3446',\n",
       "  'GO:0006936'): {'nodes': ['pubchem.compound:3446',\n",
       "   'ncbigene:781',\n",
       "   'GO:0006936'], 'relations': ['INHIBITS', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:5755',\n",
       "  'GO:0006954'): {'nodes': ['pubchem.compound:5755',\n",
       "   'ncbigene:2908',\n",
       "   'ncbigene:301',\n",
       "   'ncbigene:5321',\n",
       "   'GO:0006954'], 'relations': ['ACTIVATES',\n",
       "   'UP_REGULATES',\n",
       "   'DOWN_REGULATES',\n",
       "   'INVOLVED_IN']},\n",
       " ('pubchem.compound:443943',\n",
       "  'GO:0006954'): {'nodes': ['pubchem.compound:443943',\n",
       "   'GO:0006954'], 'relations': ['INHIBITS']},\n",
       " ('pubchem.compound:16362',\n",
       "  'GO:0014046'): {'nodes': ['pubchem.compound:16362',\n",
       "   'ncbigene:1813',\n",
       "   'GO:0014046',\n",
       "   'HP:0100033'], 'relations': ['INHIBITS',\n",
       "   'ACTIVATED_BY',\n",
       "   'ASSOCIATED_WITH']},\n",
       " ('pubchem.compound:13109',\n",
       "  'GO:0032275'): {'nodes': ['pubchem.compound:13109',\n",
       "   'ncbigene:5241',\n",
       "   'ncbigene:2796',\n",
       "   'GO:0032275'], 'relations': ['ACTIVATES',\n",
       "   'DOWN_REGULATES',\n",
       "   'DOWN_REGULATES']},\n",
       " ('pubchem.compound:637568',\n",
       "  'GO:0006979'): {'nodes': ['pubchem.compound:637568',\n",
       "   'MESH:Q14145',\n",
       "   'ncbigene:4780',\n",
       "   'GO:0006979'], 'relations': ['INHIBITS',\n",
       "   'DOWN_REGULATES',\n",
       "   'DOWN_REGULATES']},\n",
       " ('pubchem.compound:4976',\n",
       "  'GO:0023041'): {'nodes': ['pubchem.compound:4976',\n",
       "   'ncbigene:6530',\n",
       "   'MESH:D009638',\n",
       "   'GO:0023041'], 'relations': ['INHIBITS', 'REDUCES', 'PART_OF']},\n",
       " ('pubchem.compound:5282136',\n",
       "  'GO:0001696'): {'nodes': ['pubchem.compound:5282136',\n",
       "   'ncbigene:3274',\n",
       "   'GO:0001696'], 'relations': ['INHIBITS', 'UP_REGULATES']},\n",
       " ('pubchem.compound:114905',\n",
       "  'GO:0045823'): {'nodes': ['pubchem.compound:114905',\n",
       "   'ncbigene:153',\n",
       "   'GO:0045823'], 'relations': ['INHIBITS', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:54385',\n",
       "  'GO:0034776'): {'nodes': ['pubchem.compound:54385',\n",
       "   'ncbigene:3269',\n",
       "   'GO:0034776'], 'relations': ['INHIBITS', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:54676537',\n",
       "  'GO:0007596'): {'nodes': ['pubchem.compound:54676537',\n",
       "   'ncbigene:79001',\n",
       "   'MESH:D014812',\n",
       "   'GO:0007596'], 'relations': ['INHIBITS', 'PRODUCES', 'PART_OF']},\n",
       " ('pubchem.compound:236702',\n",
       "  'GO:0019370'): {'nodes': ['pubchem.compound:236702',\n",
       "   'ncbigene:2908',\n",
       "   'ncbigene:301',\n",
       "   'ncbigene:5321',\n",
       "   'GO:0019370'], 'relations': ['ACTIVATES',\n",
       "   'UP_REGULATES',\n",
       "   'DOWN_REGULATES',\n",
       "   'UP_REGULATES']},\n",
       " ('pubchem.compound:4170',\n",
       "  'GO:0055078'): {'nodes': ['pubchem.compound:4170',\n",
       "   'ncbigene:6559',\n",
       "   'GO:0055078'], 'relations': ['INHIBITS', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:9833444',\n",
       "  'GO:0032782'): {'nodes': ['pubchem.compound:9833444',\n",
       "   'GO:0032782'], 'relations': ['ACTIVATES']},\n",
       " ('pubchem.compound:55191',\n",
       "  'GO:0050795'): {'nodes': ['pubchem.compound:55191',\n",
       "   'ncbigene:3350',\n",
       "   'GO:0050795'], 'relations': ['ACTIVATES', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:33741',\n",
       "  'GO:0019233'): {'nodes': ['pubchem.compound:33741',\n",
       "   'ncbigene:4988',\n",
       "   'GO:0019233'], 'relations': ['ACTIVATES', 'DOWN_REGULATES']},\n",
       " ('pubchem.compound:5576',\n",
       "  'GO:0007268 '): {'nodes': ['pubchem.compound:5576',\n",
       "   'ncbigene:8913',\n",
       "   'GO:0007268 '], 'relations': ['INHIBITS', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:24872560',\n",
       "  'GO:0006351'): {'nodes': ['pubchem.compound:24872560',\n",
       "   'ncbigene:367',\n",
       "   'GO:0006351',\n",
       "   'GO:0008283'], 'relations': ['INHIBITS', 'UP_REGULATES', 'REQUIRED_FOR']},\n",
       " ('pubchem.compound:24872560',\n",
       "  'GO:0008283'): {'nodes': ['pubchem.compound:24872560',\n",
       "   'ncbigene:367',\n",
       "   'GO:0006351',\n",
       "   'GO:0008283'], 'relations': ['INHIBITS', 'UP_REGULATES', 'REQUIRED_FOR']},\n",
       " ('pubchem.compound:2145',\n",
       "  'GO:0008283'): {'nodes': ['pubchem.compound:2145',\n",
       "   'ncbigene:1588',\n",
       "   'MESH:D004967',\n",
       "   'GO:0008283'], 'relations': ['INHIBITS', 'PRODUCES', 'UP_REGULATES']},\n",
       " ('pubchem.compound:204',\n",
       "  'GO:0042060'): {'nodes': ['pubchem.compound:204',\n",
       "   'GO:0042060'], 'relations': ['ACTIVATES']},\n",
       " ('pubchem.compound:5339',\n",
       "  'GO:0019370'): {'nodes': ['pubchem.compound:5339',\n",
       "   'ncbigene:240',\n",
       "   'GO:0019370',\n",
       "   'GO:0006954'], 'relations': ['INHIBITS', 'UP_REGULATES', 'PART_OF']},\n",
       " ('pubchem.compound:5339',\n",
       "  'GO:0006954'): {'nodes': ['pubchem.compound:5339',\n",
       "   'ncbigene:240',\n",
       "   'GO:0019370',\n",
       "   'GO:0006954'], 'relations': ['INHIBITS', 'UP_REGULATES', 'PART_OF']},\n",
       " ('pubchem.compound:6421',\n",
       "  'GO:0070265'): {'nodes': ['pubchem.compound:6421',\n",
       "   'GO:0070265'], 'relations': ['ACTIVATES']},\n",
       " ('pubchem.compound:3487',\n",
       "  'GO:1904862'): {'nodes': ['pubchem.compound:3487',\n",
       "   'ncbigene:2554',\n",
       "   'GO:1904862'], 'relations': ['ACTIVATES', 'INVOLVED_IN']},\n",
       " ('pubchem.compound:16197727',\n",
       "  'GO:0042438'): {'nodes': ['pubchem.compound:16197727',\n",
       "   'ncbigene:4157',\n",
       "   'GO:0042438',\n",
       "   'MESH:C041877',\n",
       "   'GO:0009650',\n",
       "   'CHEBI:26523',\n",
       "   'MESH:C028025'], 'relations': ['ACTIVATES',\n",
       "   'INVOLVED_IN',\n",
       "   'UP_REGULATES',\n",
       "   'PART_OF',\n",
       "   'REDUCES',\n",
       "   'INCREASED_BY']},\n",
       " ('pubchem.compound:16197727',\n",
       "  'GO:0009650'): {'nodes': ['pubchem.compound:16197727',\n",
       "   'ncbigene:4157',\n",
       "   'GO:0042438',\n",
       "   'MESH:C041877',\n",
       "   'GO:0009650',\n",
       "   'CHEBI:26523',\n",
       "   'MESH:C028025'], 'relations': ['ACTIVATES',\n",
       "   'INVOLVED_IN',\n",
       "   'UP_REGULATES',\n",
       "   'PART_OF',\n",
       "   'REDUCES',\n",
       "   'INCREASED_BY']},\n",
       " ('pubchem.compound:25151504',\n",
       "  'GO:0019068'): {'nodes': ['pubchem.compound:25151504',\n",
       "   'ncbigene:64816',\n",
       "   'MESH:D000069446',\n",
       "   'UniProt:P04585',\n",
       "   'GO:0019068'], 'relations': ['INHIBITS',\n",
       "   'REDUCES',\n",
       "   'INHIBITS',\n",
       "   'INVOLVED_IN']}}"
      ]
     },
     "execution_count": 32,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "dict(validation_moas)"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "06b85415",
   "metadata": {},
   "source": [
    "Do they correspond with the pairs we previously found?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "id": "0f2f7667",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "48"
      ]
     },
     "execution_count": 33,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "connected_pairs = pd.read_csv(osp.join(KG_DIR, 'test.tsv'), sep='\\t', header=0)\n",
    "cpairs = [(row['source'], row['target']) for i, row in connected_pairs.iterrows()]\n",
    "len(cpairs)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 34,
   "id": "b38c7c6e",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "47"
      ]
     },
     "execution_count": 34,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(set(validation_moas.keys()) & set(cpairs))"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "16a0e5f8",
   "metadata": {},
   "source": [
    "No they don't..."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 35,
   "id": "5e2cb372",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{('pubchem.compound:5745', 'GO:0050900')}"
      ]
     },
     "execution_count": 35,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "set(cpairs) - set(validation_moas.keys())"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 36,
   "id": "57314481",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>n1</th>\n",
       "      <th>e1</th>\n",
       "      <th>n2</th>\n",
       "      <th>e2</th>\n",
       "      <th>n3</th>\n",
       "      <th>e3</th>\n",
       "      <th>n4</th>\n",
       "      <th>e4</th>\n",
       "      <th>n5</th>\n",
       "      <th>e5</th>\n",
       "      <th>n6</th>\n",
       "      <th>e6</th>\n",
       "      <th>n7</th>\n",
       "      <th>e7</th>\n",
       "      <th>n8</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>14</th>\n",
       "      <td>cortisone acetate</td>\n",
       "      <td>INCREASES_EXPRESSION</td>\n",
       "      <td>lipocortin-1</td>\n",
       "      <td>DOWN_REGULATES</td>\n",
       "      <td>Prostaglandin Synthesis</td>\n",
       "      <td>INVOLVED_IN</td>\n",
       "      <td>Inflammation</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Keratitis</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>15</th>\n",
       "      <td>cortisone acetate</td>\n",
       "      <td>DECREASES_EXPRESSION</td>\n",
       "      <td>COX Genes</td>\n",
       "      <td>PRODUCES</td>\n",
       "      <td>Prostaglandins</td>\n",
       "      <td>PART_OF</td>\n",
       "      <td>Inflammation</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Keratitis</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>16</th>\n",
       "      <td>cortisone acetate</td>\n",
       "      <td>INCREASES_EXPRESSION</td>\n",
       "      <td>lipocortin-1</td>\n",
       "      <td>DOWN_REGULATES</td>\n",
       "      <td>Immune Cell Funciton</td>\n",
       "      <td>UP_REGULATES</td>\n",
       "      <td>Inflammation</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Keratitis</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>17</th>\n",
       "      <td>cortisone acetate</td>\n",
       "      <td>ACTIVATES</td>\n",
       "      <td>Glucocorticoid receptor</td>\n",
       "      <td>UP_REGULATES</td>\n",
       "      <td>Annexin A1</td>\n",
       "      <td>DOWN_REGULATES</td>\n",
       "      <td>Prostaglandin Synthesis</td>\n",
       "      <td>UP_REGULATES</td>\n",
       "      <td>Inflammation</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Keratitis</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>18</th>\n",
       "      <td>cortisone acetate</td>\n",
       "      <td>ACTIVATES</td>\n",
       "      <td>Glucocorticoid receptor</td>\n",
       "      <td>DOWN_REGULATES</td>\n",
       "      <td>COX genes</td>\n",
       "      <td>PRODUCES</td>\n",
       "      <td>Prostaglandins</td>\n",
       "      <td>PART_OF</td>\n",
       "      <td>Inflammation</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Keratitis</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "                   n1                    e1                       n2  \\\n",
       "14  cortisone acetate  INCREASES_EXPRESSION             lipocortin-1   \n",
       "15  cortisone acetate  DECREASES_EXPRESSION                COX Genes   \n",
       "16  cortisone acetate  INCREASES_EXPRESSION             lipocortin-1   \n",
       "17  cortisone acetate             ACTIVATES  Glucocorticoid receptor   \n",
       "18  cortisone acetate             ACTIVATES  Glucocorticoid receptor   \n",
       "\n",
       "                e2                       n3              e3  \\\n",
       "14  DOWN_REGULATES  Prostaglandin Synthesis     INVOLVED_IN   \n",
       "15        PRODUCES           Prostaglandins         PART_OF   \n",
       "16  DOWN_REGULATES     Immune Cell Funciton    UP_REGULATES   \n",
       "17    UP_REGULATES               Annexin A1  DOWN_REGULATES   \n",
       "18  DOWN_REGULATES                COX genes        PRODUCES   \n",
       "\n",
       "                         n4            e4            n5      e5         n6  \\\n",
       "14             Inflammation        CAUSES     Keratitis     NaN        NaN   \n",
       "15             Inflammation        CAUSES     Keratitis     NaN        NaN   \n",
       "16             Inflammation        CAUSES     Keratitis     NaN        NaN   \n",
       "17  Prostaglandin Synthesis  UP_REGULATES  Inflammation  CAUSES  Keratitis   \n",
       "18           Prostaglandins       PART_OF  Inflammation  CAUSES  Keratitis   \n",
       "\n",
       "     e6   n7   e7   n8  \n",
       "14  NaN  NaN  NaN  NaN  \n",
       "15  NaN  NaN  NaN  NaN  \n",
       "16  NaN  NaN  NaN  NaN  \n",
       "17  NaN  NaN  NaN  NaN  \n",
       "18  NaN  NaN  NaN  NaN  "
      ]
     },
     "execution_count": 36,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "paths.loc[paths['n1'] == \"cortisone acetate\"]"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "3d769ca8",
   "metadata": {},
   "source": [
    "Since it's just one, let's move on:"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "78dd4fe4",
   "metadata": {},
   "source": [
    "Now, we'll get lists from the output file of MARS:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 37,
   "id": "33c51215",
   "metadata": {},
   "outputs": [],
   "source": [
    "OUTPUT_DIR = '../data/output'"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "id": "d335c1b9",
   "metadata": {},
   "outputs": [],
   "source": [
    "file_path = osp.join(OUTPUT_DIR, 'paths_CtBP')\n",
    "\n",
    "with open(file_path, 'r') as file:\n",
    "\n",
    "    lines = file.readlines()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 39,
   "id": "664eda80",
   "metadata": {},
   "outputs": [],
   "source": [
    "breakpoints = [i for i, line in enumerate(lines) if line.startswith(\"#####################\")]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "id": "5bf7d2fc",
   "metadata": {},
   "outputs": [],
   "source": [
    "chunks = []\n",
    "startpoint = 0\n",
    "for brk in breakpoints:\n",
    "    chunk = lines[startpoint:brk]\n",
    "    if chunk[1].strip() == 'Reward:1':\n",
    "        chunks.append(chunk)\n",
    "    startpoint = brk + 1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 41,
   "id": "77c01d41",
   "metadata": {},
   "outputs": [],
   "source": [
    "pred_paths = dict()\n",
    "\n",
    "for chunk in chunks:\n",
    "    srt = 0\n",
    "    current_pair = tuple(chunk[0].split())\n",
    "    pred_paths[current_pair] = {'nodes': [], 'relations': []}\n",
    "    chunk = chunk[2::]\n",
    "    breakpoints = [i for i, line in enumerate(chunk) if line.startswith(\"___\")]\n",
    "    for brk in breakpoints:\n",
    "        entry = chunk[srt:brk]\n",
    "        if entry[2].strip() == '1':\n",
    "            pred_paths[current_pair]['nodes'].append(entry[0].strip().split('\\t'))\n",
    "            pred_paths[current_pair]['relations'].append(entry[1].strip().split('\\t'))\n",
    "        srt = brk + 1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 42,
   "id": "326b2076",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "dict_keys([('pubchem.compound:2265', 'GO:0002376'), ('pubchem.compound:26987', 'GO:0044281'), ('pubchem.compound:5282379', 'GO:0032880'), ('pubchem.compound:31307', 'GO:0022607'), ('pubchem.compound:126941', 'GO:0022618'), ('pubchem.compound:24872560', 'GO:0006351'), ('pubchem.compound:3162', 'GO:0034776'), ('pubchem.compound:5095', 'GO:0006629'), ('pubchem.compound:16197727', 'GO:0042438'), ('pubchem.compound:54678486', 'GO:0007596'), ('pubchem.compound:107807', 'GO:0050877'), ('pubchem.compound:5330286', 'GO:0002376'), ('pubchem.compound:31703', 'GO:0030154'), ('pubchem.compound:10631', 'GO:0030705'), ('pubchem.compound:44093', 'GO:0044281'), ('pubchem.compound:6167', 'GO:0048856'), ('pubchem.compound:4197', 'GO:0006629'), ('pubchem.compound:5503', 'GO:0044281'), ('pubchem.compound:31703', 'GO:0050877'), ('pubchem.compound:31703', 'GO:0006259'), ('pubchem.compound:3676', 'GO:0044281'), ('pubchem.compound:16197727', 'GO:0009650'), ('pubchem.compound:53232', 'GO:0006629'), ('pubchem.compound:2733526', 'GO:0048856'), ('pubchem.compound:457193', 'GO:0043085'), ('pubchem.compound:4011', 'GO:0050790'), ('pubchem.compound:2200', 'GO:0034776'), ('pubchem.compound:37542', 'GO:0006629'), ('pubchem.compound:457193', 'GO:0042592'), ('pubchem.compound:2812', 'GO:0002376'), ('pubchem.compound:2265', 'GO:0007017'), ('pubchem.compound:60854', 'GO:0005975'), ('pubchem.compound:4158', 'GO:0055085'), ('pubchem.compound:149096', 'GO:0006260'), ('pubchem.compound:5280360', 'GO:0007267'), ('pubchem.compound:3488', 'GO:0007165'), ('pubchem.compound:6215', 'GO:0048646'), ('pubchem.compound:456201', 'GO:0070989'), ('pubchem.compound:3652', 'GO:0048856'), ('pubchem.compound:2724385', 'GO:0030154'), ('pubchem.compound:447043', 'GO:0007010'), ('pubchem.compound:2812', 'GO:0007010'), ('pubchem.compound:3715', 'GO:0042592'), ('pubchem.compound:3826', 'GO:0030154'), ('pubchem.compound:9829523', 'GO:0008283'), ('pubchem.compound:444795', 'GO:0048856'), ('pubchem.compound:9444', 'GO:0006259'), ('pubchem.compound:54385', 'GO:0034776'), ('pubchem.compound:32798', 'GO:0007165'), ('pubchem.compound:3547', 'GO:0022607'), ('pubchem.compound:4828', 'GO:0048646'), ('pubchem.compound:2082', 'GO:0050877'), ('pubchem.compound:4170', 'GO:0055078'), ('pubchem.compound:4916', 'GO:0007017'), ('pubchem.compound:5790', 'GO:0006913'), ('pubchem.compound:10607', 'GO:0044281'), ('pubchem.compound:3019', 'GO:0044281'), ('pubchem.compound:5339', 'GO:0006954'), ('pubchem.compound:126941', 'GO:0009790'), ('pubchem.compound:5330286', 'GO:0006259'), ('pubchem.compound:5564', 'GO:0061024'), ('pubchem.compound:2797', 'GO:0044281'), ('pubchem.compound:1548887', 'GO:0070989'), ('pubchem.compound:444795', 'GO:0008283'), ('pubchem.compound:44093', 'GO:0048646'), ('pubchem.compound:4011', 'GO:0043085'), ('pubchem.compound:4828', 'GO:0007017'), ('pubchem.compound:32798', 'GO:0006805'), ('pubchem.compound:4636', 'GO:0042310'), ('pubchem.compound:4011', 'GO:0032880'), ('pubchem.compound:60854', 'GO:0016192'), ('pubchem.compound:5405', 'GO:0006913'), ('pubchem.compound:5339', 'GO:0019370'), ('pubchem.compound:8378', 'GO:0050877'), ('pubchem.compound:10607', 'GO:0007165'), ('pubchem.compound:4168', 'GO:0022607'), ('pubchem.compound:4828', 'GO:0002376'), ('pubchem.compound:44462760', 'GO:0048856'), ('pubchem.compound:5073', 'GO:0008219'), ('pubchem.compound:11625818', 'GO:0048646'), ('pubchem.compound:5790', 'GO:0032880'), ('pubchem.compound:2724385', 'GO:0016192'), ('pubchem.compound:4828', 'GO:0032880'), ('pubchem.compound:9829523', 'GO:0048646'), ('pubchem.compound:4201', 'GO:0042311'), ('pubchem.compound:3476', 'GO:0044281'), ('pubchem.compound:4011', 'GO:0022607'), ('pubchem.compound:24826799', 'GO:0055085'), ('pubchem.compound:2797', 'GO:0006805'), ('pubchem.compound:44462760', 'GO:0002376'), ('pubchem.compound:3385', 'GO:0007017'), ('pubchem.compound:3117', 'GO:0055085'), ('pubchem.compound:44462760', 'GO:0050877'), ('pubchem.compound:44462760', 'GO:0022607'), ('pubchem.compound:9931954', 'GO:0050790'), ('pubchem.compound:4171', 'GO:0016192'), ('pubchem.compound:44093', 'GO:0048856'), ('pubchem.compound:9829523', 'GO:0016192'), ('pubchem.compound:457193', 'GO:0007017'), ('pubchem.compound:2554', 'GO:0007267'), ('pubchem.compound:5983', 'GO:0007165'), ('pubchem.compound:445354', 'GO:0008283'), ('pubchem.compound:3157', 'GO:0055085'), ('pubchem.compound:54676537', 'GO:0007596'), ('pubchem.compound:5405', 'GO:0007165'), ('pubchem.compound:24826799', 'GO:0042592'), ('pubchem.compound:5282136', 'GO:0001696'), ('pubchem.compound:3019', 'GO:0006913'), ('pubchem.compound:31307', 'GO:0030154'), ('pubchem.compound:6167', 'GO:0022607'), ('pubchem.compound:5505', 'GO:0007017'), ('pubchem.compound:3647', 'GO:0061024'), ('pubchem.compound:12560', 'GO:0044281'), ('pubchem.compound:2724385', 'GO:0002376'), ('pubchem.compound:5095', 'GO:0016192'), ('pubchem.compound:9829523', 'GO:0007049'), ('pubchem.compound:5639', 'GO:0048646'), ('pubchem.compound:5593', 'GO:0050790'), ('pubchem.compound:3385', 'GO:0006397'), ('pubchem.compound:3157', 'GO:0042592'), ('pubchem.compound:6167', 'GO:0030705'), ('pubchem.compound:44462760', 'GO:0051276'), ('pubchem.compound:44462760', 'GO:0007165'), ('pubchem.compound:12035', 'GO:0048856'), ('pubchem.compound:4197', 'GO:0006259'), ('pubchem.compound:445643', 'GO:0007165'), ('pubchem.compound:5531', 'GO:0006913'), ('pubchem.compound:3652', 'GO:0043085'), ('pubchem.compound:60835', 'GO:0051610'), ('pubchem.compound:445354', 'GO:0050877'), ('pubchem.compound:5639', 'GO:0048856'), ('pubchem.compound:40632', 'GO:0006259'), ('pubchem.compound:445354', 'GO:0006629'), ('pubchem.compound:1548943', 'GO:0007165'), ('pubchem.compound:5330286', 'GO:0007017'), ('pubchem.compound:3547', 'GO:0006805'), ('pubchem.compound:5639', 'GO:0043085'), ('pubchem.compound:4011', 'GO:0009308'), ('pubchem.compound:3019', 'GO:0048856'), ('pubchem.compound:3446', 'GO:0006936'), ('pubchem.compound:5330286', 'GO:0050877'), ('pubchem.compound:26987', 'GO:0050877'), ('pubchem.compound:5095', 'GO:0022607'), ('pubchem.compound:5073', 'GO:0032880'), ('pubchem.compound:3447', 'GO:0007165'), ('pubchem.compound:3826', 'GO:0042592'), ('pubchem.compound:3488', 'GO:0043065'), ('pubchem.compound:24826799', 'GO:0007049'), ('pubchem.compound:457193', 'GO:0044281'), ('pubchem.compound:4201', 'GO:0008217'), ('pubchem.compound:4011', 'GO:0007165'), ('pubchem.compound:3715', 'GO:0048646'), ('pubchem.compound:5564', 'GO:0007010'), ('pubchem.compound:55191', 'GO:0050795'), ('pubchem.compound:4916', 'GO:0030154'), ('pubchem.compound:16362', 'GO:0048856'), ('pubchem.compound:2812', 'GO:0007017'), ('pubchem.compound:4828', 'GO:0007267'), ('pubchem.compound:2375', 'GO:0007165'), ('pubchem.compound:5505', 'GO:0048856'), ('pubchem.compound:23725625', 'GO:0030154'), ('pubchem.compound:92727', 'GO:0009820'), ('pubchem.compound:3658', 'GO:0050877'), ('pubchem.compound:24826799', 'GO:0006508'), ('pubchem.compound:2244', 'GO:0007596'), ('pubchem.compound:457193', 'GO:0048856'), ('pubchem.compound:6167', 'GO:0009820'), ('pubchem.compound:5073', 'GO:0002376'), ('pubchem.compound:8378', 'GO:0042592'), ('pubchem.compound:3385', 'GO:0043085'), ('pubchem.compound:3478', 'GO:0002376'), ('pubchem.compound:4828', 'GO:0048856'), ('pubchem.compound:4078', 'GO:0042592'), ('pubchem.compound:24826799', 'GO:0032880'), ('pubchem.compound:2265', 'GO:0007010'), ('pubchem.compound:126941', 'GO:0030154'), ('pubchem.compound:2082', 'GO:0030154'), ('pubchem.compound:60149', 'GO:0050877'), ('pubchem.compound:5073', 'GO:0022607'), ('pubchem.compound:135398744', 'GO:0042311'), ('pubchem.compound:5983', 'GO:0007017'), ('pubchem.compound:2993', 'GO:0048856'), ('pubchem.compound:3117', 'GO:0002376'), ('pubchem.compound:4828', 'GO:0007010'), ('pubchem.compound:9829523', 'GO:0002376'), ('pubchem.compound:60854', 'GO:0048856'), ('pubchem.compound:2812', 'GO:0048856'), ('pubchem.compound:16362', 'GO:0007267'), ('pubchem.compound:114905', 'GO:0045823'), ('pubchem.compound:2554', 'GO:0008219'), ('pubchem.compound:16362', 'GO:0016192'), ('pubchem.compound:6167', 'GO:0044281'), ('pubchem.compound:4912', 'GO:0050877'), ('pubchem.compound:25151504', 'GO:0019068'), ('pubchem.compound:6215', 'GO:0032880'), ('pubchem.compound:126941', 'GO:0007165'), ('pubchem.compound:2082', 'GO:0007010'), ('pubchem.compound:667550', 'GO:0048856'), ('pubchem.compound:2733526', 'GO:0070989'), ('pubchem.compound:6215', 'GO:0042592'), ('pubchem.compound:445643', 'GO:0008283'), ('pubchem.compound:3308', 'GO:0022607'), ('pubchem.compound:3157', 'GO:0050877'), ('pubchem.compound:444795', 'GO:0007165'), ('pubchem.compound:4826', 'GO:0042311'), ('pubchem.compound:5917', 'GO:0048856'), ('pubchem.compound:54687', 'GO:0032880'), ('pubchem.compound:4030', 'GO:0030705'), ('pubchem.compound:4171', 'GO:0043085'), ('pubchem.compound:3117', 'GO:0030705'), ('pubchem.compound:4168', 'GO:0006805'), ('pubchem.compound:3715', 'GO:0043065'), ('pubchem.compound:4158', 'GO:0048856'), ('pubchem.compound:2733526', 'GO:0006629'), ('pubchem.compound:4011', 'GO:0002376'), ('pubchem.compound:10631', 'GO:0061024'), ('pubchem.compound:4976', 'GO:0023041'), ('pubchem.compound:2564', 'GO:0034776'), ('pubchem.compound:3478', 'GO:0032880'), ('pubchem.compound:2756', 'GO:0022618'), ('pubchem.compound:5505', 'GO:0007010'), ('pubchem.compound:156391', 'GO:0006954'), ('pubchem.compound:60854', 'GO:0008283'), ('pubchem.compound:3463', 'GO:0044281'), ('pubchem.compound:2082', 'GO:0007017'), ('pubchem.compound:3488', 'GO:0044281'), ('pubchem.compound:44093', 'GO:0009790'), ('pubchem.compound:60854', 'GO:0050877'), ('pubchem.compound:444795', 'GO:0006629'), ('pubchem.compound:5639', 'GO:0007017'), ('pubchem.compound:2478', 'GO:0006913'), ('pubchem.compound:3715', 'GO:0032880'), ('pubchem.compound:2724385', 'GO:0007017'), ('pubchem.compound:456201', 'GO:0009820'), ('pubchem.compound:3117', 'GO:0061024'), ('pubchem.compound:3487', 'GO:1904862'), ('pubchem.compound:2812', 'GO:0061024'), ('pubchem.compound:4826', 'GO:0008217'), ('pubchem.compound:441074', 'GO:0006805'), ('pubchem.compound:5095', 'GO:0007165'), ('pubchem.compound:5983', 'GO:0030154'), ('pubchem.compound:4828', 'GO:0006629'), ('pubchem.compound:54687', 'GO:0061024'), ('pubchem.compound:3957', 'GO:0070989'), ('pubchem.compound:5576', 'GO:0007268'), ('pubchem.compound:444795', 'GO:0021700'), ('pubchem.compound:2733526', 'GO:0061024'), ('pubchem.compound:10631', 'GO:0044281'), ('pubchem.compound:2265', 'GO:0048856'), ('pubchem.compound:3033', 'GO:0007165'), ('pubchem.compound:10607', 'GO:0007267'), ('pubchem.compound:126941', 'GO:0048856'), ('pubchem.compound:10607', 'GO:0021700'), ('pubchem.compound:9829523', 'GO:0042592'), ('pubchem.compound:2724385', 'GO:0007165'), ('pubchem.compound:9829523', 'GO:0007267'), ('pubchem.compound:2145', 'GO:0048646'), ('pubchem.compound:11625818', 'GO:0005975'), ('pubchem.compound:2162', 'GO:0050877'), ('pubchem.compound:5330286', 'GO:0032880'), ('pubchem.compound:6167', 'GO:0061024'), ('pubchem.compound:11625818', 'GO:0044281'), ('pubchem.compound:5917', 'GO:0050790'), ('pubchem.compound:4168', 'GO:0042592'), ('pubchem.compound:2092', 'GO:0007267'), ('pubchem.compound:5073', 'GO:0048646')])"
      ]
     },
     "execution_count": 42,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pred_paths.keys()"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "ba83d9bc",
   "metadata": {},
   "source": [
    "I want to see what the predicted paths look like:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 43,
   "id": "70b860b4",
   "metadata": {},
   "outputs": [],
   "source": [
    "patterns_traversed = []\n",
    "\n",
    "for val in pred_paths.values():\n",
    "    patterns_traversed.extend(val['relations'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 44,
   "id": "62da686b",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Counter({\"['CtBP', '_CtBP', 'CtBP']\": 2728,\n",
       "         \"['NO_OP', 'CdG', 'GpBP']\": 21,\n",
       "         \"['CdG', 'GpBP', 'NO_OP']\": 21,\n",
       "         \"['CdG', 'NO_OP', 'GpBP']\": 13,\n",
       "         \"['NO_OP', 'CuG', 'GpBP']\": 9,\n",
       "         \"['CuG', 'GpBP', 'NO_OP']\": 9,\n",
       "         \"['CuG', 'NO_OP', 'GpBP']\": 7,\n",
       "         \"['CtBP', '_GpBP', 'GpBP']\": 2,\n",
       "         \"['CdG', '_CdG', 'CtBP']\": 1})"
      ]
     },
     "execution_count": 44,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "patterns_traversed = [str(i) for i in patterns_traversed]\n",
    "Counter(patterns_traversed)"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "e2d2ca46",
   "metadata": {},
   "source": [
    "This `['CtBP', '_CtBP', 'CtBP']` is very prominent. What happens if we get rid of any pairs predicted with this?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 45,
   "id": "c1224f95",
   "metadata": {},
   "outputs": [],
   "source": [
    "file_path = osp.join(OUTPUT_DIR, 'paths_CtBP')\n",
    "\n",
    "with open(file_path, 'r') as file:\n",
    "\n",
    "    lines = file.readlines()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 46,
   "id": "711ba5bb",
   "metadata": {},
   "outputs": [],
   "source": [
    "breakpoints = [i for i, line in enumerate(lines) if line.startswith(\"#####################\")]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 47,
   "id": "2db0dd5d",
   "metadata": {},
   "outputs": [],
   "source": [
    "chunks = []\n",
    "startpoint = 0\n",
    "for brk in breakpoints:\n",
    "    chunk = lines[startpoint:brk]\n",
    "    if chunk[1].strip() == 'Reward:1':\n",
    "        chunks.append(chunk)\n",
    "    startpoint = brk + 1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 48,
   "id": "9ed73b3e",
   "metadata": {},
   "outputs": [],
   "source": [
    "pred_paths = dict()\n",
    "\n",
    "for chunk in chunks:\n",
    "    srt = 0\n",
    "    current_pair = tuple(chunk[0].split())\n",
    "    chunk = chunk[2::]\n",
    "    breakpoints = [i for i, line in enumerate(chunk) if line.startswith(\"___\")]\n",
    "    for brk in breakpoints:\n",
    "        entry = chunk[srt:brk]\n",
    "        if entry[2].strip() == '1' and entry[1].strip().split('\\t') != ['CtBP', '_CtBP', 'CtBP']:\n",
    "            if current_pair not in pred_paths:\n",
    "                pred_paths[current_pair] = {'nodes': [], 'relations': []}\n",
    "            pred_paths[current_pair]['nodes'].append(entry[0].strip().split('\\t'))\n",
    "            pred_paths[current_pair]['relations'].append(entry[1].strip().split('\\t'))\n",
    "        srt = brk + 1"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 49,
   "id": "695734b7",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "32"
      ]
     },
     "execution_count": 49,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(pred_paths)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 50,
   "id": "2b3adf06",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "29"
      ]
     },
     "execution_count": 50,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "found_keys = set(pred_paths.keys()) & validation_moas.keys()\n",
    "len(found_keys)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 80,
   "id": "5bfabc61",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{('pubchem.compound:16197727',\n",
       "  'GO:0042438'): {'nodes': [['pubchem.compound:16197727',\n",
       "    'pubchem.compound:16197727',\n",
       "    'ncbigene:4157',\n",
       "    'GO:0042438'],\n",
       "   ['pubchem.compound:16197727', 'ncbigene:4157', 'GO:0042438', 'GO:0042438'],\n",
       "   ['pubchem.compound:16197727',\n",
       "    'ncbigene:4157',\n",
       "    'ncbigene:4157',\n",
       "    'GO:0042438']], 'relations': [['NO_OP', 'CuG', 'GpBP'],\n",
       "   ['CuG', 'GpBP', 'NO_OP'],\n",
       "   ['CuG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:54678486',\n",
       "  'GO:0007596'): {'nodes': [['pubchem.compound:54678486',\n",
       "    'pubchem.compound:54678486',\n",
       "    'ncbigene:79001',\n",
       "    'GO:0007596'],\n",
       "   ['pubchem.compound:54678486', 'ncbigene:79001', 'GO:0007596', 'GO:0007596'],\n",
       "   ['pubchem.compound:54678486',\n",
       "    'ncbigene:79001',\n",
       "    'ncbigene:79001',\n",
       "    'GO:0007596']], 'relations': [['NO_OP', 'CdG', 'GpBP'],\n",
       "   ['CdG', 'GpBP', 'NO_OP'],\n",
       "   ['CdG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:16197727',\n",
       "  'GO:0009650'): {'nodes': [['pubchem.compound:16197727',\n",
       "    'pubchem.compound:16197727',\n",
       "    'ncbigene:4157',\n",
       "    'GO:0009650'],\n",
       "   ['pubchem.compound:16197727', 'ncbigene:4157', 'GO:0009650', 'GO:0009650'],\n",
       "   ['pubchem.compound:16197727',\n",
       "    'ncbigene:4157',\n",
       "    'ncbigene:4157',\n",
       "    'GO:0009650']], 'relations': [['NO_OP', 'CuG', 'GpBP'],\n",
       "   ['CuG', 'GpBP', 'NO_OP'],\n",
       "   ['CuG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:149096',\n",
       "  'GO:0006260'): {'nodes': [['pubchem.compound:149096',\n",
       "    'ncbigene:7153',\n",
       "    'GO:0006260',\n",
       "    'GO:0006260'],\n",
       "   ['pubchem.compound:149096',\n",
       "    'pubchem.compound:149096',\n",
       "    'ncbigene:7153',\n",
       "    'GO:0006260']], 'relations': [['CdG', 'GpBP', 'NO_OP'],\n",
       "   ['NO_OP', 'CdG', 'GpBP']]},\n",
       " ('pubchem.compound:4170',\n",
       "  'GO:0055078'): {'nodes': [['pubchem.compound:4170',\n",
       "    'pubchem.compound:4170',\n",
       "    'ncbigene:6559',\n",
       "    'GO:0055078'],\n",
       "   ['pubchem.compound:4170', 'ncbigene:6559', 'GO:0055078', 'GO:0055078'],\n",
       "   ['pubchem.compound:4170',\n",
       "    'ncbigene:6559',\n",
       "    'ncbigene:6559',\n",
       "    'GO:0055078']], 'relations': [['NO_OP', 'CdG', 'GpBP'],\n",
       "   ['CdG', 'GpBP', 'NO_OP'],\n",
       "   ['CdG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:5339',\n",
       "  'GO:0006954'): {'nodes': [['pubchem.compound:5339',\n",
       "    'pubchem.compound:5339',\n",
       "    'ncbigene:240',\n",
       "    'GO:0006954'],\n",
       "   ['pubchem.compound:5339', 'ncbigene:240', 'GO:0006954', 'GO:0006954'],\n",
       "   ['pubchem.compound:5339',\n",
       "    'ncbigene:240',\n",
       "    'ncbigene:240',\n",
       "    'GO:0006954']], 'relations': [['NO_OP', 'CdG', 'GpBP'],\n",
       "   ['CdG', 'GpBP', 'NO_OP'],\n",
       "   ['CdG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:5339',\n",
       "  'GO:0019370'): {'nodes': [['pubchem.compound:5339',\n",
       "    'pubchem.compound:5339',\n",
       "    'ncbigene:240',\n",
       "    'GO:0019370'],\n",
       "   ['pubchem.compound:5339', 'ncbigene:240', 'GO:0019370', 'GO:0019370'],\n",
       "   ['pubchem.compound:5339',\n",
       "    'ncbigene:240',\n",
       "    'ncbigene:240',\n",
       "    'GO:0019370']], 'relations': [['NO_OP', 'CdG', 'GpBP'],\n",
       "   ['CdG', 'GpBP', 'NO_OP'],\n",
       "   ['CdG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:54676537',\n",
       "  'GO:0007596'): {'nodes': [['pubchem.compound:54676537',\n",
       "    'pubchem.compound:54676537',\n",
       "    'ncbigene:79001',\n",
       "    'GO:0007596'],\n",
       "   ['pubchem.compound:54676537', 'ncbigene:79001', 'GO:0007596', 'GO:0007596'],\n",
       "   ['pubchem.compound:54676537',\n",
       "    'ncbigene:79001',\n",
       "    'ncbigene:79001',\n",
       "    'GO:0007596']], 'relations': [['NO_OP', 'CdG', 'GpBP'],\n",
       "   ['CdG', 'GpBP', 'NO_OP'],\n",
       "   ['CdG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:5282136',\n",
       "  'GO:0001696'): {'nodes': [['pubchem.compound:5282136',\n",
       "    'pubchem.compound:5282136',\n",
       "    'ncbigene:3274',\n",
       "    'GO:0001696'],\n",
       "   ['pubchem.compound:5282136', 'ncbigene:3274', 'GO:0001696', 'GO:0001696'],\n",
       "   ['pubchem.compound:5282136',\n",
       "    'ncbigene:3274',\n",
       "    'ncbigene:3274',\n",
       "    'GO:0001696']], 'relations': [['NO_OP', 'CdG', 'GpBP'],\n",
       "   ['CdG', 'GpBP', 'NO_OP'],\n",
       "   ['CdG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:3446',\n",
       "  'GO:0006936'): {'nodes': [['pubchem.compound:3446',\n",
       "    'pubchem.compound:3446',\n",
       "    'ncbigene:781',\n",
       "    'GO:0006936'],\n",
       "   ['pubchem.compound:3446',\n",
       "    'ncbigene:781',\n",
       "    'GO:0006936',\n",
       "    'GO:0006936']], 'relations': [['NO_OP', 'CdG', 'GpBP'],\n",
       "   ['CdG', 'GpBP', 'NO_OP']]},\n",
       " ('pubchem.compound:4201',\n",
       "  'GO:0008217'): {'nodes': [['pubchem.compound:4201',\n",
       "    'ncbigene:3758',\n",
       "    'GO:0008217',\n",
       "    'GO:0008217'],\n",
       "   ['pubchem.compound:4201',\n",
       "    'pubchem.compound:4201',\n",
       "    'ncbigene:3758',\n",
       "    'GO:0008217']], 'relations': [['CuG', 'GpBP', 'NO_OP'],\n",
       "   ['NO_OP', 'CuG', 'GpBP']]},\n",
       " ('pubchem.compound:55191',\n",
       "  'GO:0050795'): {'nodes': [['pubchem.compound:55191',\n",
       "    'ncbigene:3350',\n",
       "    'GO:0050795',\n",
       "    'GO:0050795'],\n",
       "   ['pubchem.compound:55191',\n",
       "    'pubchem.compound:55191',\n",
       "    'ncbigene:3350',\n",
       "    'GO:0050795']], 'relations': [['CuG', 'GpBP', 'NO_OP'],\n",
       "   ['NO_OP', 'CuG', 'GpBP']]},\n",
       " ('pubchem.compound:135398744',\n",
       "  'GO:0042311'): {'nodes': [['pubchem.compound:135398744',\n",
       "    'pubchem.compound:135398744',\n",
       "    'ncbigene:8654',\n",
       "    'GO:0042311'],\n",
       "   ['pubchem.compound:135398744', 'ncbigene:8654', 'GO:0042311', 'GO:0042311'],\n",
       "   ['pubchem.compound:135398744',\n",
       "    'ncbigene:8654',\n",
       "    'ncbigene:8654',\n",
       "    'GO:0042311']], 'relations': [['NO_OP', 'CdG', 'GpBP'],\n",
       "   ['CdG', 'GpBP', 'NO_OP'],\n",
       "   ['CdG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:25151504',\n",
       "  'GO:0019068'): {'nodes': [['pubchem.compound:25151504',\n",
       "    'pubchem.compound:25151504',\n",
       "    'ncbigene:64816',\n",
       "    'GO:0019068'],\n",
       "   ['pubchem.compound:25151504', 'ncbigene:64816', 'GO:0019068', 'GO:0019068'],\n",
       "   ['pubchem.compound:25151504',\n",
       "    'ncbigene:64816',\n",
       "    'ncbigene:64816',\n",
       "    'GO:0019068']], 'relations': [['NO_OP', 'CdG', 'GpBP'],\n",
       "   ['CdG', 'GpBP', 'NO_OP'],\n",
       "   ['CdG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:4826',\n",
       "  'GO:0042311'): {'nodes': [['pubchem.compound:4826',\n",
       "    'pubchem.compound:4826',\n",
       "    'ncbigene:3778',\n",
       "    'GO:0042311'],\n",
       "   ['pubchem.compound:4826', 'ncbigene:3778', 'GO:0042311', 'GO:0042311'],\n",
       "   ['pubchem.compound:4826',\n",
       "    'ncbigene:3778',\n",
       "    'ncbigene:3778',\n",
       "    'GO:0042311']], 'relations': [['NO_OP', 'CuG', 'GpBP'],\n",
       "   ['CuG', 'GpBP', 'NO_OP'],\n",
       "   ['CuG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:4976',\n",
       "  'GO:0023041'): {'nodes': [['pubchem.compound:4976',\n",
       "    'pubchem.compound:4976',\n",
       "    'ncbigene:6530',\n",
       "    'GO:0023041'],\n",
       "   ['pubchem.compound:4976', 'ncbigene:6530', 'GO:0023041', 'GO:0023041'],\n",
       "   ['pubchem.compound:4976',\n",
       "    'ncbigene:6530',\n",
       "    'ncbigene:6530',\n",
       "    'GO:0023041']], 'relations': [['NO_OP', 'CdG', 'GpBP'],\n",
       "   ['CdG', 'GpBP', 'NO_OP'],\n",
       "   ['CdG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:4826',\n",
       "  'GO:0008217'): {'nodes': [['pubchem.compound:4826',\n",
       "    'pubchem.compound:4826',\n",
       "    'ncbigene:3778',\n",
       "    'GO:0008217'],\n",
       "   ['pubchem.compound:4826', 'ncbigene:3778', 'GO:0008217', 'GO:0008217'],\n",
       "   ['pubchem.compound:4826',\n",
       "    'ncbigene:3778',\n",
       "    'ncbigene:3778',\n",
       "    'GO:0008217']], 'relations': [['NO_OP', 'CuG', 'GpBP'],\n",
       "   ['CuG', 'GpBP', 'NO_OP'],\n",
       "   ['CuG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:5576',\n",
       "  'GO:0007268'): {'nodes': [['pubchem.compound:5576',\n",
       "    'pubchem.compound:5576',\n",
       "    'ncbigene:8913',\n",
       "    'GO:0007268'],\n",
       "   ['pubchem.compound:5576', 'ncbigene:8913', 'GO:0007268 ', 'GO:0007268'],\n",
       "   ['pubchem.compound:5576',\n",
       "    'ncbigene:8913',\n",
       "    'ncbigene:8913',\n",
       "    'GO:0007268']], 'relations': [['NO_OP', 'CdG', 'GpBP'],\n",
       "   ['CdG', 'GpBP', 'NO_OP'],\n",
       "   ['CdG', 'NO_OP', 'GpBP']]},\n",
       " ('pubchem.compound:2145',\n",
       "  'GO:0048646'): {'nodes': [['pubchem.compound:2145',\n",
       "    'ncbigene:1588',\n",
       "    'pubchem.compound:60198',\n",
       "    'GO:0048646']], 'relations': [['CdG', '_CdG', 'CtBP']]},\n",
       " ('pubchem.compound:3168',\n",
       "  'GO:0055085'): {'nodes': [['pubchem.compound:3168',\n",
       "    'ncbigene:1813',\n",
       "    'pubchem.compound:4078',\n",
       "    'GO:0055085'],\n",
       "   ['pubchem.compound:3168',\n",
       "    'ncbigene:148',\n",
       "    'pubchem.compound:441074',\n",
       "    'GO:0055085']], 'relations': [['CdG', '_CdG', 'CtBP'],\n",
       "   ['CdG', '_CdG', 'CtBP']]},\n",
       " ('pubchem.compound:2162',\n",
       "  'GO:0050877'): {'nodes': [['pubchem.compound:2162',\n",
       "    'GO:0007165',\n",
       "    'ncbigene:170572',\n",
       "    'GO:0050877'],\n",
       "   ['pubchem.compound:2162',\n",
       "    'GO:0007165',\n",
       "    'ncbigene:285242',\n",
       "    'GO:0050877']], 'relations': [['CtBP', '_GpBP', 'GpBP'],\n",
       "   ['CtBP', '_GpBP', 'GpBP']]}}"
      ]
     },
     "execution_count": 80,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pred_paths"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "248f0065",
   "metadata": {},
   "source": [
    "Yay, now let's write code to see if we can compare the paths found by the method.\n",
    "\n",
    "First, we'll see how many of the DrugMechDB pairs were found:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 45,
   "id": "e91f0ac8",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "17"
      ]
     },
     "execution_count": 45,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "found_keys = set(pred_paths.keys()) & validation_moas.keys()\n",
    "len(found_keys)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 46,
   "id": "a7fb8584",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{('pubchem.compound:135398744', 'GO:0042311'),\n",
       " ('pubchem.compound:149096', 'GO:0006260'),\n",
       " ('pubchem.compound:16197727', 'GO:0009650'),\n",
       " ('pubchem.compound:16197727', 'GO:0042438'),\n",
       " ('pubchem.compound:25151504', 'GO:0019068'),\n",
       " ('pubchem.compound:3446', 'GO:0006936'),\n",
       " ('pubchem.compound:4170', 'GO:0055078'),\n",
       " ('pubchem.compound:4201', 'GO:0008217'),\n",
       " ('pubchem.compound:4826', 'GO:0008217'),\n",
       " ('pubchem.compound:4826', 'GO:0042311'),\n",
       " ('pubchem.compound:4976', 'GO:0023041'),\n",
       " ('pubchem.compound:5282136', 'GO:0001696'),\n",
       " ('pubchem.compound:5339', 'GO:0006954'),\n",
       " ('pubchem.compound:5339', 'GO:0019370'),\n",
       " ('pubchem.compound:54676537', 'GO:0007596'),\n",
       " ('pubchem.compound:54678486', 'GO:0007596'),\n",
       " ('pubchem.compound:55191', 'GO:0050795')}"
      ]
     },
     "execution_count": 46,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "found_keys"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 47,
   "id": "5609f13c",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "32.075471698113205% of the DrugMechDB pairs were predicted correctly.\n"
     ]
    }
   ],
   "source": [
    "print(f\"{len(found_keys) / len(validation_moas) * 100}% of the DrugMechDB pairs were predicted correctly.\")"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "23611486",
   "metadata": {},
   "source": [
    "From these, let's compare whether the correct paths were found:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 48,
   "id": "0df82df4",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{('pubchem.compound:4826', 'GO:0042311'): ['pubchem.compound:4826',\n",
       "  'ncbigene:3778',\n",
       "  'GO:0042311',\n",
       "  'GO:0008217'],\n",
       " ('pubchem.compound:4826', 'GO:0008217'): ['pubchem.compound:4826',\n",
       "  'ncbigene:3778',\n",
       "  'GO:0042311',\n",
       "  'GO:0008217'],\n",
       " ('pubchem.compound:149096', 'GO:0006260'): ['pubchem.compound:149096',\n",
       "  'ncbigene:7153',\n",
       "  'GO:0006260',\n",
       "  'NCBITaxon:562'],\n",
       " ('pubchem.compound:54678486', 'GO:0007596'): ['pubchem.compound:54678486',\n",
       "  'ncbigene:79001',\n",
       "  'MESH:D014812',\n",
       "  'GO:0007596'],\n",
       " ('pubchem.compound:4201', 'GO:0008217'): ['pubchem.compound:4201',\n",
       "  'ncbigene:3758',\n",
       "  'GO:0042311',\n",
       "  'GO:0008217'],\n",
       " ('pubchem.compound:135398744', 'GO:0042311'): ['pubchem.compound:135398744',\n",
       "  'ncbigene:8654',\n",
       "  'MESH:D006152',\n",
       "  'GO:0042311'],\n",
       " ('pubchem.compound:3446', 'GO:0006936'): ['pubchem.compound:3446',\n",
       "  'ncbigene:781',\n",
       "  'GO:0006936'],\n",
       " ('pubchem.compound:4976', 'GO:0023041'): ['pubchem.compound:4976',\n",
       "  'ncbigene:6530',\n",
       "  'MESH:D009638',\n",
       "  'GO:0023041'],\n",
       " ('pubchem.compound:5282136', 'GO:0001696'): ['pubchem.compound:5282136',\n",
       "  'ncbigene:3274',\n",
       "  'GO:0001696'],\n",
       " ('pubchem.compound:54676537', 'GO:0007596'): ['pubchem.compound:54676537',\n",
       "  'ncbigene:79001',\n",
       "  'MESH:D014812',\n",
       "  'GO:0007596'],\n",
       " ('pubchem.compound:4170', 'GO:0055078'): ['pubchem.compound:4170',\n",
       "  'ncbigene:6559',\n",
       "  'GO:0055078'],\n",
       " ('pubchem.compound:55191', 'GO:0050795'): ['pubchem.compound:55191',\n",
       "  'ncbigene:3350',\n",
       "  'GO:0050795'],\n",
       " ('pubchem.compound:5339', 'GO:0019370'): ['pubchem.compound:5339',\n",
       "  'ncbigene:240',\n",
       "  'GO:0019370',\n",
       "  'GO:0006954'],\n",
       " ('pubchem.compound:5339', 'GO:0006954'): ['pubchem.compound:5339',\n",
       "  'ncbigene:240',\n",
       "  'GO:0019370',\n",
       "  'GO:0006954'],\n",
       " ('pubchem.compound:16197727', 'GO:0042438'): ['pubchem.compound:16197727',\n",
       "  'ncbigene:4157',\n",
       "  'GO:0042438',\n",
       "  'MESH:C041877',\n",
       "  'GO:0009650',\n",
       "  'CHEBI:26523',\n",
       "  'MESH:C028025'],\n",
       " ('pubchem.compound:16197727', 'GO:0009650'): ['pubchem.compound:16197727',\n",
       "  'ncbigene:4157',\n",
       "  'GO:0042438',\n",
       "  'MESH:C041877',\n",
       "  'GO:0009650',\n",
       "  'CHEBI:26523',\n",
       "  'MESH:C028025'],\n",
       " ('pubchem.compound:25151504', 'GO:0019068'): ['pubchem.compound:25151504',\n",
       "  'ncbigene:64816',\n",
       "  'MESH:D000069446',\n",
       "  'UniProt:P04585',\n",
       "  'GO:0019068']}"
      ]
     },
     "execution_count": 48,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "real_moas = {key: val['nodes'] for key, val in validation_moas.items() if key in found_keys}\n",
    "real_moas"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 49,
   "id": "1291634d",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "('pubchem.compound:4826', 'GO:0042311') ['pubchem.compound:4826', 'ncbigene:3778', 'GO:0042311', 'GO:0008217']\n",
      "('pubchem.compound:4826', 'GO:0008217') ['pubchem.compound:4826', 'ncbigene:3778', 'GO:0042311', 'GO:0008217']\n",
      "('pubchem.compound:149096', 'GO:0006260') ['pubchem.compound:149096', 'ncbigene:7153', 'GO:0006260', 'NCBITaxon:562']\n",
      "('pubchem.compound:54678486', 'GO:0007596') ['pubchem.compound:54678486', 'ncbigene:79001', 'MESH:D014812', 'GO:0007596']\n",
      "('pubchem.compound:4201', 'GO:0008217') ['pubchem.compound:4201', 'ncbigene:3758', 'GO:0042311', 'GO:0008217']\n",
      "('pubchem.compound:135398744', 'GO:0042311') ['pubchem.compound:135398744', 'ncbigene:8654', 'MESH:D006152', 'GO:0042311']\n",
      "('pubchem.compound:4976', 'GO:0023041') ['pubchem.compound:4976', 'ncbigene:6530', 'MESH:D009638', 'GO:0023041']\n",
      "('pubchem.compound:54676537', 'GO:0007596') ['pubchem.compound:54676537', 'ncbigene:79001', 'MESH:D014812', 'GO:0007596']\n",
      "('pubchem.compound:5339', 'GO:0019370') ['pubchem.compound:5339', 'ncbigene:240', 'GO:0019370', 'GO:0006954']\n",
      "('pubchem.compound:5339', 'GO:0006954') ['pubchem.compound:5339', 'ncbigene:240', 'GO:0019370', 'GO:0006954']\n",
      "('pubchem.compound:16197727', 'GO:0042438') ['pubchem.compound:16197727', 'ncbigene:4157', 'GO:0042438', 'MESH:C041877', 'GO:0009650', 'CHEBI:26523', 'MESH:C028025']\n",
      "('pubchem.compound:16197727', 'GO:0009650') ['pubchem.compound:16197727', 'ncbigene:4157', 'GO:0042438', 'MESH:C041877', 'GO:0009650', 'CHEBI:26523', 'MESH:C028025']\n",
      "('pubchem.compound:25151504', 'GO:0019068') ['pubchem.compound:25151504', 'ncbigene:64816', 'MESH:D000069446', 'UniProt:P04585', 'GO:0019068']\n"
     ]
    }
   ],
   "source": [
    "for key, val in real_moas.items():\n",
    "    if len(val) > 3:\n",
    "        print(key, val)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 50,
   "id": "b0153dab",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{('pubchem.compound:16197727',\n",
       "  'GO:0042438'): [['pubchem.compound:16197727',\n",
       "   'pubchem.compound:16197727',\n",
       "   'ncbigene:4157',\n",
       "   'GO:0042438'], ['pubchem.compound:16197727',\n",
       "   'ncbigene:4157',\n",
       "   'GO:0042438',\n",
       "   'GO:0042438'], ['pubchem.compound:16197727',\n",
       "   'ncbigene:4157',\n",
       "   'ncbigene:4157',\n",
       "   'GO:0042438']],\n",
       " ('pubchem.compound:54678486',\n",
       "  'GO:0007596'): [['pubchem.compound:54678486',\n",
       "   'pubchem.compound:54678486',\n",
       "   'ncbigene:79001',\n",
       "   'GO:0007596'], ['pubchem.compound:54678486',\n",
       "   'ncbigene:79001',\n",
       "   'GO:0007596',\n",
       "   'GO:0007596'], ['pubchem.compound:54678486',\n",
       "   'ncbigene:79001',\n",
       "   'ncbigene:79001',\n",
       "   'GO:0007596']],\n",
       " ('pubchem.compound:16197727',\n",
       "  'GO:0009650'): [['pubchem.compound:16197727',\n",
       "   'pubchem.compound:16197727',\n",
       "   'ncbigene:4157',\n",
       "   'GO:0009650'], ['pubchem.compound:16197727',\n",
       "   'ncbigene:4157',\n",
       "   'GO:0009650',\n",
       "   'GO:0009650'], ['pubchem.compound:16197727',\n",
       "   'ncbigene:4157',\n",
       "   'ncbigene:4157',\n",
       "   'GO:0009650']],\n",
       " ('pubchem.compound:149096',\n",
       "  'GO:0006260'): [['pubchem.compound:149096',\n",
       "   'ncbigene:7153',\n",
       "   'GO:0006260',\n",
       "   'GO:0006260'], ['pubchem.compound:149096',\n",
       "   'pubchem.compound:149096',\n",
       "   'ncbigene:7153',\n",
       "   'GO:0006260']],\n",
       " ('pubchem.compound:4170',\n",
       "  'GO:0055078'): [['pubchem.compound:4170',\n",
       "   'pubchem.compound:4170',\n",
       "   'ncbigene:6559',\n",
       "   'GO:0055078'], ['pubchem.compound:4170',\n",
       "   'ncbigene:6559',\n",
       "   'GO:0055078',\n",
       "   'GO:0055078'], ['pubchem.compound:4170',\n",
       "   'ncbigene:6559',\n",
       "   'ncbigene:6559',\n",
       "   'GO:0055078']],\n",
       " ('pubchem.compound:5339',\n",
       "  'GO:0006954'): [['pubchem.compound:5339',\n",
       "   'pubchem.compound:5339',\n",
       "   'ncbigene:240',\n",
       "   'GO:0006954'], ['pubchem.compound:5339',\n",
       "   'ncbigene:240',\n",
       "   'GO:0006954',\n",
       "   'GO:0006954'], ['pubchem.compound:5339',\n",
       "   'ncbigene:240',\n",
       "   'ncbigene:240',\n",
       "   'GO:0006954']],\n",
       " ('pubchem.compound:5339',\n",
       "  'GO:0019370'): [['pubchem.compound:5339',\n",
       "   'pubchem.compound:5339',\n",
       "   'ncbigene:240',\n",
       "   'GO:0019370'], ['pubchem.compound:5339',\n",
       "   'ncbigene:240',\n",
       "   'GO:0019370',\n",
       "   'GO:0019370'], ['pubchem.compound:5339',\n",
       "   'ncbigene:240',\n",
       "   'ncbigene:240',\n",
       "   'GO:0019370']],\n",
       " ('pubchem.compound:54676537',\n",
       "  'GO:0007596'): [['pubchem.compound:54676537',\n",
       "   'pubchem.compound:54676537',\n",
       "   'ncbigene:79001',\n",
       "   'GO:0007596'], ['pubchem.compound:54676537',\n",
       "   'ncbigene:79001',\n",
       "   'GO:0007596',\n",
       "   'GO:0007596'], ['pubchem.compound:54676537',\n",
       "   'ncbigene:79001',\n",
       "   'ncbigene:79001',\n",
       "   'GO:0007596']],\n",
       " ('pubchem.compound:5282136',\n",
       "  'GO:0001696'): [['pubchem.compound:5282136',\n",
       "   'pubchem.compound:5282136',\n",
       "   'ncbigene:3274',\n",
       "   'GO:0001696'], ['pubchem.compound:5282136',\n",
       "   'ncbigene:3274',\n",
       "   'GO:0001696',\n",
       "   'GO:0001696'], ['pubchem.compound:5282136',\n",
       "   'ncbigene:3274',\n",
       "   'ncbigene:3274',\n",
       "   'GO:0001696']],\n",
       " ('pubchem.compound:3446',\n",
       "  'GO:0006936'): [['pubchem.compound:3446',\n",
       "   'pubchem.compound:3446',\n",
       "   'ncbigene:781',\n",
       "   'GO:0006936'], ['pubchem.compound:3446',\n",
       "   'ncbigene:781',\n",
       "   'GO:0006936',\n",
       "   'GO:0006936']],\n",
       " ('pubchem.compound:4201',\n",
       "  'GO:0008217'): [['pubchem.compound:4201',\n",
       "   'ncbigene:3758',\n",
       "   'GO:0008217',\n",
       "   'GO:0008217'], ['pubchem.compound:4201',\n",
       "   'pubchem.compound:4201',\n",
       "   'ncbigene:3758',\n",
       "   'GO:0008217']],\n",
       " ('pubchem.compound:55191',\n",
       "  'GO:0050795'): [['pubchem.compound:55191',\n",
       "   'ncbigene:3350',\n",
       "   'GO:0050795',\n",
       "   'GO:0050795'], ['pubchem.compound:55191',\n",
       "   'pubchem.compound:55191',\n",
       "   'ncbigene:3350',\n",
       "   'GO:0050795']],\n",
       " ('pubchem.compound:135398744',\n",
       "  'GO:0042311'): [['pubchem.compound:135398744',\n",
       "   'pubchem.compound:135398744',\n",
       "   'ncbigene:8654',\n",
       "   'GO:0042311'], ['pubchem.compound:135398744',\n",
       "   'ncbigene:8654',\n",
       "   'GO:0042311',\n",
       "   'GO:0042311'], ['pubchem.compound:135398744',\n",
       "   'ncbigene:8654',\n",
       "   'ncbigene:8654',\n",
       "   'GO:0042311']],\n",
       " ('pubchem.compound:25151504',\n",
       "  'GO:0019068'): [['pubchem.compound:25151504',\n",
       "   'pubchem.compound:25151504',\n",
       "   'ncbigene:64816',\n",
       "   'GO:0019068'], ['pubchem.compound:25151504',\n",
       "   'ncbigene:64816',\n",
       "   'GO:0019068',\n",
       "   'GO:0019068'], ['pubchem.compound:25151504',\n",
       "   'ncbigene:64816',\n",
       "   'ncbigene:64816',\n",
       "   'GO:0019068']],\n",
       " ('pubchem.compound:4826',\n",
       "  'GO:0042311'): [['pubchem.compound:4826',\n",
       "   'pubchem.compound:4826',\n",
       "   'ncbigene:3778',\n",
       "   'GO:0042311'], ['pubchem.compound:4826',\n",
       "   'ncbigene:3778',\n",
       "   'GO:0042311',\n",
       "   'GO:0042311'], ['pubchem.compound:4826',\n",
       "   'ncbigene:3778',\n",
       "   'ncbigene:3778',\n",
       "   'GO:0042311']],\n",
       " ('pubchem.compound:4976',\n",
       "  'GO:0023041'): [['pubchem.compound:4976',\n",
       "   'pubchem.compound:4976',\n",
       "   'ncbigene:6530',\n",
       "   'GO:0023041'], ['pubchem.compound:4976',\n",
       "   'ncbigene:6530',\n",
       "   'GO:0023041',\n",
       "   'GO:0023041'], ['pubchem.compound:4976',\n",
       "   'ncbigene:6530',\n",
       "   'ncbigene:6530',\n",
       "   'GO:0023041']],\n",
       " ('pubchem.compound:4826',\n",
       "  'GO:0008217'): [['pubchem.compound:4826',\n",
       "   'pubchem.compound:4826',\n",
       "   'ncbigene:3778',\n",
       "   'GO:0008217'], ['pubchem.compound:4826',\n",
       "   'ncbigene:3778',\n",
       "   'GO:0008217',\n",
       "   'GO:0008217'], ['pubchem.compound:4826',\n",
       "   'ncbigene:3778',\n",
       "   'ncbigene:3778',\n",
       "   'GO:0008217']]}"
      ]
     },
     "execution_count": 50,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pred_moas = {key: val['nodes'] for key, val in pred_paths.items() if key in found_keys}\n",
    "pred_moas"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 51,
   "id": "ab36e3cc",
   "metadata": {},
   "outputs": [],
   "source": [
    "matches = dict()\n",
    "for key in found_keys:\n",
    "    true_prots = {i for i in real_moas[key] if i.startswith('ncbigene:')}\n",
    "    matches[key] = []\n",
    "    for pred in pred_moas[key]:\n",
    "        pred_prots = {i for i in pred if i.startswith('ncbigene:')}\n",
    "        matches[key].append(len(true_prots.intersection(pred_prots)) / len(true_prots))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 52,
   "id": "6b44dd22",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{('pubchem.compound:54676537', 'GO:0007596'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:4976', 'GO:0023041'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:4826', 'GO:0042311'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:16197727', 'GO:0009650'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:135398744', 'GO:0042311'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:25151504', 'GO:0019068'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:4201', 'GO:0008217'): [1.0, 1.0],\n",
       " ('pubchem.compound:5282136', 'GO:0001696'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:3446', 'GO:0006936'): [1.0, 1.0],\n",
       " ('pubchem.compound:5339', 'GO:0019370'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:54678486', 'GO:0007596'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:5339', 'GO:0006954'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:4170', 'GO:0055078'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:4826', 'GO:0008217'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:55191', 'GO:0050795'): [1.0, 1.0],\n",
       " ('pubchem.compound:16197727', 'GO:0042438'): [1.0, 1.0, 1.0],\n",
       " ('pubchem.compound:149096', 'GO:0006260'): [1.0, 1.0]}"
      ]
     },
     "execution_count": 52,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "matches"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 53,
   "id": "f7b44a0b",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['pubchem.compound:4636', 'ncbigene:148', 'GO:0042310']"
      ]
     },
     "execution_count": 53,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "real_moas[('pubchem.compound:4636', 'GO:0042310')]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 54,
   "id": "80221e7f",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[['pubchem.compound:4636', 'ncbigene:148', 'GO:0042310', 'GO:0042310']]"
      ]
     },
     "execution_count": 54,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pred_moas[('pubchem.compound:4636', 'GO:0042310')]"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 55,
   "id": "f98c2c82",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "['ACTIVATES', 'UP_REGULATES']"
      ]
     },
     "execution_count": 55,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "validation_moas[('pubchem.compound:4636', 'GO:0042310')]['relations']"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 56,
   "id": "af66d148",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "[['CuG', 'GpBP', 'NO_OP']]"
      ]
     },
     "execution_count": 56,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "pred_paths[('pubchem.compound:4636', 'GO:0042310')]['relations']"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "b108573c",
   "metadata": {},
   "source": [
    "This is impressive. Are these drugs connected to a lot of proteins?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 57,
   "id": "7f50ae38",
   "metadata": {},
   "outputs": [],
   "source": [
    "KG_DIR = '../data/kg'\n",
    "\n",
    "kg = pd.read_csv(osp.join(KG_DIR, 'final_kg.tsv'), sep='\\t')\n",
    "kg.drop_duplicates(inplace=True)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 58,
   "id": "eecec272",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1\n",
      "('pubchem.compound:114905', 'GO:0045823')\n",
      "3\n",
      "('pubchem.compound:149096', 'GO:0006260')\n",
      "1\n",
      "('pubchem.compound:2564', 'GO:0034776')\n",
      "1\n",
      "('pubchem.compound:3162', 'GO:0034776')\n",
      "1\n",
      "('pubchem.compound:4826', 'GO:0008217')\n",
      "1\n",
      "('pubchem.compound:54678486', 'GO:0007596')\n",
      "1\n",
      "('pubchem.compound:60835', 'GO:0051610')\n",
      "1\n",
      "('pubchem.compound:3446', 'GO:0006936')\n",
      "1\n",
      "('pubchem.compound:54676537', 'GO:0007596')\n",
      "1\n",
      "('pubchem.compound:54385', 'GO:0034776')\n",
      "1\n",
      "('pubchem.compound:5339', 'GO:0006954')\n",
      "1\n",
      "('pubchem.compound:135398744', 'GO:0042311')\n",
      "1\n",
      "('pubchem.compound:25151504', 'GO:0019068')\n",
      "1\n",
      "('pubchem.compound:5339', 'GO:0019370')\n",
      "10\n",
      "('pubchem.compound:4636', 'GO:0042310')\n",
      "1\n",
      "('pubchem.compound:4976', 'GO:0023041')\n",
      "1\n",
      "('pubchem.compound:4826', 'GO:0042311')\n",
      "1\n",
      "('pubchem.compound:2200', 'GO:0034776')\n",
      "1\n",
      "('pubchem.compound:16197727', 'GO:0009650')\n",
      "1\n",
      "('pubchem.compound:16197727', 'GO:0042438')\n",
      "1\n",
      "('pubchem.compound:3487', 'GO:1904862')\n",
      "1\n",
      "('pubchem.compound:5282136', 'GO:0001696')\n",
      "1\n",
      "('pubchem.compound:2244', 'GO:0007596')\n",
      "1\n",
      "('pubchem.compound:55191', 'GO:0050795')\n",
      "1\n",
      "('pubchem.compound:4170', 'GO:0055078')\n"
     ]
    }
   ],
   "source": [
    "for key in found_keys:\n",
    "    drug = key[0]\n",
    "    print(len(kg.loc[kg['source'] == drug]))\n",
    "    print(key)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 59,
   "id": "430e9005",
   "metadata": {},
   "outputs": [
    {
     "name": "stdout",
     "output_type": "stream",
     "text": [
      "1\n",
      "('pubchem.compound:114905', 'GO:0045823')\n",
      "1\n",
      "('pubchem.compound:149096', 'GO:0006260')\n",
      "1\n",
      "('pubchem.compound:2564', 'GO:0034776')\n",
      "1\n",
      "('pubchem.compound:3162', 'GO:0034776')\n",
      "2\n",
      "('pubchem.compound:4826', 'GO:0008217')\n",
      "2\n",
      "('pubchem.compound:54678486', 'GO:0007596')\n",
      "1\n",
      "('pubchem.compound:60835', 'GO:0051610')\n",
      "1\n",
      "('pubchem.compound:3446', 'GO:0006936')\n",
      "2\n",
      "('pubchem.compound:54676537', 'GO:0007596')\n",
      "1\n",
      "('pubchem.compound:54385', 'GO:0034776')\n",
      "6\n",
      "('pubchem.compound:5339', 'GO:0006954')\n",
      "3\n",
      "('pubchem.compound:135398744', 'GO:0042311')\n",
      "1\n",
      "('pubchem.compound:25151504', 'GO:0019068')\n",
      "2\n",
      "('pubchem.compound:5339', 'GO:0019370')\n",
      "1\n",
      "('pubchem.compound:4636', 'GO:0042310')\n",
      "1\n",
      "('pubchem.compound:4976', 'GO:0023041')\n",
      "3\n",
      "('pubchem.compound:4826', 'GO:0042311')\n",
      "1\n",
      "('pubchem.compound:2200', 'GO:0034776')\n",
      "1\n",
      "('pubchem.compound:16197727', 'GO:0009650')\n",
      "1\n",
      "('pubchem.compound:16197727', 'GO:0042438')\n",
      "1\n",
      "('pubchem.compound:3487', 'GO:1904862')\n",
      "1\n",
      "('pubchem.compound:5282136', 'GO:0001696')\n",
      "2\n",
      "('pubchem.compound:2244', 'GO:0007596')\n",
      "1\n",
      "('pubchem.compound:55191', 'GO:0050795')\n",
      "1\n",
      "('pubchem.compound:4170', 'GO:0055078')\n"
     ]
    }
   ],
   "source": [
    "for key in found_keys:\n",
    "    bp = key[1]\n",
    "    entries = len(kg.loc[kg['target'] == bp])\n",
    "    #if entries > 1:\n",
    "    print(entries)\n",
    "    print(key)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 61,
   "id": "edc10d48",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "(88,)"
      ]
     },
     "execution_count": 61,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "kg.loc[kg['edge_type'] == 'participates']['target'].unique().shape"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "52eaf052",
   "metadata": {},
   "source": [
    "## DrugMechDB overlap with dataset\n",
    "\n",
    "To use DrugMechDB as a validation set, let's see how much it overlaps with our data. \n",
    "\n",
    "First, we can see which BPs are also within our GO BP set from the ChEMBL dataset."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 26,
   "id": "4f454c03",
   "metadata": {},
   "outputs": [],
   "source": [
    "KG_DIR = '../data/kg'"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 27,
   "id": "8561feae",
   "metadata": {},
   "outputs": [],
   "source": [
    "feasible_bps = pd.read_csv(osp.join(KG_DIR, \"feasible_go_bps.tsv\"), sep=\"\\t\", index_col=0)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 28,
   "id": "00dcc113",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>go_id</th>\n",
       "      <th>go_term</th>\n",
       "      <th>num_drugs</th>\n",
       "      <th>num_prots</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>GO:0008150</td>\n",
       "      <td>biological_process</td>\n",
       "      <td>181</td>\n",
       "      <td>93</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>GO:0010951</td>\n",
       "      <td>negative regulation of endopeptidase activity</td>\n",
       "      <td>33</td>\n",
       "      <td>33</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>GO:0006805</td>\n",
       "      <td>xenobiotic metabolic process</td>\n",
       "      <td>153</td>\n",
       "      <td>92</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>GO:0006629</td>\n",
       "      <td>lipid metabolic process</td>\n",
       "      <td>169</td>\n",
       "      <td>104</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>GO:0030154</td>\n",
       "      <td>cell differentiation</td>\n",
       "      <td>143</td>\n",
       "      <td>285</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "        go_id                                        go_term  num_drugs  \\\n",
       "0  GO:0008150                             biological_process        181   \n",
       "1  GO:0010951  negative regulation of endopeptidase activity         33   \n",
       "2  GO:0006805                   xenobiotic metabolic process        153   \n",
       "3  GO:0006629                        lipid metabolic process        169   \n",
       "4  GO:0030154                           cell differentiation        143   \n",
       "\n",
       "   num_prots  \n",
       "0         93  \n",
       "1         33  \n",
       "2         92  \n",
       "3        104  \n",
       "4        285  "
      ]
     },
     "execution_count": 28,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "feasible_bps.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 29,
   "id": "be83b1b8",
   "metadata": {},
   "outputs": [],
   "source": [
    "feas_gobps = set(feasible_bps['go_id'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 30,
   "id": "8b24afd7",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<matplotlib_venn._common.VennDiagram at 0x7f978837c160>"
      ]
     },
     "execution_count": 30,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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",
      "text/plain": [
       "<Figure size 540x252 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "venn2_unweighted(\n",
    "    [feas_gobps, bps],\n",
    "    set_labels=['GO BPs in ChEMBL dataset', 'GO BPs in DrugMechDB']\n",
    ")"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "6ed6db17",
   "metadata": {},
   "source": [
    "Okay, yikes. Only two GO BPs are in the set from ChEMBL. Let's see how the overlap with the KGs is."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 31,
   "id": "79c07f20",
   "metadata": {},
   "outputs": [],
   "source": [
    "openbiolink_df = pd.read_csv(osp.join(KG_DIR, 'openbiolink_filtered.tsv'), sep='\\t')\n",
    "custom_df = pd.read_csv(osp.join(KG_DIR, 'customkg_filtered.tsv'), sep='\\t')"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "637b7e6c",
   "metadata": {},
   "source": [
    "In the `enrichment` notebook, we made a filtered mapping dataframe with GO annotations:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 33,
   "id": "787d1d1f",
   "metadata": {},
   "outputs": [],
   "source": [
    "filtered_df = pd.read_csv(f'{VALIDATION_DIR}/in_kg_go_terms.tsv', sep='\\t')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 34,
   "id": "606e94ca",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>#tax_id</th>\n",
       "      <th>GeneID</th>\n",
       "      <th>GO_ID</th>\n",
       "      <th>Evidence</th>\n",
       "      <th>Qualifier</th>\n",
       "      <th>GO_term</th>\n",
       "      <th>PubMed</th>\n",
       "      <th>Category</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>9606</td>\n",
       "      <td>ncbigene:2</td>\n",
       "      <td>GO:0001553</td>\n",
       "      <td>IEA</td>\n",
       "      <td>involved_in</td>\n",
       "      <td>luteinization</td>\n",
       "      <td>-</td>\n",
       "      <td>Process</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>9606</td>\n",
       "      <td>ncbigene:2</td>\n",
       "      <td>GO:0001869</td>\n",
       "      <td>IDA</td>\n",
       "      <td>involved_in</td>\n",
       "      <td>negative regulation of complement activation, ...</td>\n",
       "      <td>12538697</td>\n",
       "      <td>Process</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>9606</td>\n",
       "      <td>ncbigene:2</td>\n",
       "      <td>GO:0002020</td>\n",
       "      <td>IBA</td>\n",
       "      <td>enables</td>\n",
       "      <td>protease binding</td>\n",
       "      <td>21873635</td>\n",
       "      <td>Function</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>9606</td>\n",
       "      <td>ncbigene:2</td>\n",
       "      <td>GO:0002020</td>\n",
       "      <td>IPI</td>\n",
       "      <td>enables</td>\n",
       "      <td>protease binding</td>\n",
       "      <td>7679575|18485748</td>\n",
       "      <td>Function</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>9606</td>\n",
       "      <td>ncbigene:2</td>\n",
       "      <td>GO:0002438</td>\n",
       "      <td>IEA</td>\n",
       "      <td>involved_in</td>\n",
       "      <td>acute inflammatory response to antigenic stimulus</td>\n",
       "      <td>-</td>\n",
       "      <td>Process</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "   #tax_id      GeneID       GO_ID Evidence    Qualifier  \\\n",
       "0     9606  ncbigene:2  GO:0001553      IEA  involved_in   \n",
       "1     9606  ncbigene:2  GO:0001869      IDA  involved_in   \n",
       "2     9606  ncbigene:2  GO:0002020      IBA      enables   \n",
       "3     9606  ncbigene:2  GO:0002020      IPI      enables   \n",
       "4     9606  ncbigene:2  GO:0002438      IEA  involved_in   \n",
       "\n",
       "                                             GO_term            PubMed  \\\n",
       "0                                      luteinization                 -   \n",
       "1  negative regulation of complement activation, ...          12538697   \n",
       "2                                   protease binding          21873635   \n",
       "3                                   protease binding  7679575|18485748   \n",
       "4  acute inflammatory response to antigenic stimulus                 -   \n",
       "\n",
       "   Category  \n",
       "0   Process  \n",
       "1   Process  \n",
       "2  Function  \n",
       "3  Function  \n",
       "4   Process  "
      ]
     },
     "execution_count": 34,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "filtered_df.head()"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 35,
   "id": "e1330563",
   "metadata": {},
   "outputs": [],
   "source": [
    "bps_in_kg = set(filtered_df['GO_ID'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 36,
   "id": "36c81708",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<matplotlib_venn._common.VennDiagram at 0x7f97b9a1d490>"
      ]
     },
     "execution_count": 36,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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",
      "text/plain": [
       "<Figure size 540x252 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "venn2_unweighted(\n",
    "    [bps_in_kg, bps],\n",
    "    set_labels=['GO BPs in KGs', 'GO BPs in DrugMechDB']\n",
    ")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 37,
   "id": "7a87823c",
   "metadata": {},
   "outputs": [],
   "source": [
    "from matplotlib_venn import venn3_unweighted"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "id": "6c0452fc",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<matplotlib_venn._common.VennDiagram at 0x7f97ea013220>"
      ]
     },
     "execution_count": 38,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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",
      "text/plain": [
       "<Figure size 540x252 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "venn3_unweighted(\n",
    "    [bps_in_kg, bps, feas_gobps],\n",
    "    set_labels=['GO BPs in KGs', 'GO BPs in DrugMechDB', 'GO BPs in ChEMBL']\n",
    ")"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "fe963deb",
   "metadata": {},
   "source": [
    "Cool, at least most of them exist in the KG! That is important because we know they are at least connected to a protein and can be mapped.\n",
    "\n",
    "What about the drugs between DrugMechDB and the KG? First, we will have to map the drugs from DrugBank to PubChem."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 37,
   "id": "d364c3d5",
   "metadata": {},
   "outputs": [],
   "source": [
    "# Get all the KG drugs:\n",
    "obl_drugs = {d for d in openbiolink_df['source'] if 'pubchem.compound' in d}\n",
    "custom_drugs = {d for d in custom_df['source'] if 'pubchem.compound' in d}"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 38,
   "id": "0aad96f8",
   "metadata": {},
   "outputs": [],
   "source": [
    "custom_drugs.update(obl_drugs)"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "25e3726a",
   "metadata": {},
   "source": [
    "I got a mapping file from [DrugBank](https://go.drugbank.com), which requires a private login/ license."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 39,
   "id": "b7e5ea0c",
   "metadata": {},
   "outputs": [],
   "source": [
    "drugbank_mapping = pd.read_csv(osp.join(MAPPING_DIR, \"drugbank_all_drug_links.csv.zip\"))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 40,
   "id": "a83fedda",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>DrugBank ID</th>\n",
       "      <th>Name</th>\n",
       "      <th>CAS Number</th>\n",
       "      <th>Drug Type</th>\n",
       "      <th>KEGG Compound ID</th>\n",
       "      <th>KEGG Drug ID</th>\n",
       "      <th>PubChem Compound ID</th>\n",
       "      <th>PubChem Substance ID</th>\n",
       "      <th>ChEBI ID</th>\n",
       "      <th>PharmGKB ID</th>\n",
       "      <th>...</th>\n",
       "      <th>GenBank ID</th>\n",
       "      <th>DPD ID</th>\n",
       "      <th>RxList Link</th>\n",
       "      <th>Pdrhealth Link</th>\n",
       "      <th>Wikipedia ID</th>\n",
       "      <th>Drugs.com Link</th>\n",
       "      <th>NDC ID</th>\n",
       "      <th>ChemSpider ID</th>\n",
       "      <th>BindingDB ID</th>\n",
       "      <th>TTD ID</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>DB00001</td>\n",
       "      <td>Lepirudin</td>\n",
       "      <td>138068-37-8</td>\n",
       "      <td>BiotechDrug</td>\n",
       "      <td>NaN</td>\n",
       "      <td>D06880</td>\n",
       "      <td>NaN</td>\n",
       "      <td>46507011.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>PA450195</td>\n",
       "      <td>...</td>\n",
       "      <td>NaN</td>\n",
       "      <td>11916</td>\n",
       "      <td>http://www.rxlist.com/cgi/generic/lepirudin.htm</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Lepirudin</td>\n",
       "      <td>http://www.drugs.com/cdi/lepirudin.html</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>DAP000541</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>DB00002</td>\n",
       "      <td>Cetuximab</td>\n",
       "      <td>205923-56-4</td>\n",
       "      <td>BiotechDrug</td>\n",
       "      <td>NaN</td>\n",
       "      <td>D03455</td>\n",
       "      <td>NaN</td>\n",
       "      <td>46507042.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>PA10040</td>\n",
       "      <td>...</td>\n",
       "      <td>J00228</td>\n",
       "      <td>13175</td>\n",
       "      <td>http://www.rxlist.com/cgi/generic3/erbitux.htm</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Cetuximab</td>\n",
       "      <td>http://www.drugs.com/cdi/cetuximab.html</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>DNC000788</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>DB00003</td>\n",
       "      <td>Dornase alfa</td>\n",
       "      <td>143831-71-4</td>\n",
       "      <td>BiotechDrug</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>46507792.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>PA10318</td>\n",
       "      <td>...</td>\n",
       "      <td>M55983</td>\n",
       "      <td>650</td>\n",
       "      <td>http://www.rxlist.com/cgi/generic/pulmozyme.htm</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Dornase_alfa</td>\n",
       "      <td>http://www.drugs.com/cdi/dornase-alfa.html</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>DAP000981</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>DB00004</td>\n",
       "      <td>Denileukin diftitox</td>\n",
       "      <td>173146-27-5</td>\n",
       "      <td>BiotechDrug</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>46506950.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>PA164750594</td>\n",
       "      <td>...</td>\n",
       "      <td>V01536</td>\n",
       "      <td>NaN</td>\n",
       "      <td>http://www.rxlist.com/cgi/generic2/denileukin.htm</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Denileukin_diftitox</td>\n",
       "      <td>http://www.drugs.com/cdi/denileukin-diftitox.html</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>DAP001098</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>DB00005</td>\n",
       "      <td>Etanercept</td>\n",
       "      <td>185243-69-0</td>\n",
       "      <td>BiotechDrug</td>\n",
       "      <td>C07897</td>\n",
       "      <td>D00742</td>\n",
       "      <td>NaN</td>\n",
       "      <td>46506732.0</td>\n",
       "      <td>NaN</td>\n",
       "      <td>PA449515</td>\n",
       "      <td>...</td>\n",
       "      <td>M32315</td>\n",
       "      <td>12032</td>\n",
       "      <td>http://www.rxlist.com/cgi/generic/etanercept.htm</td>\n",
       "      <td>NaN</td>\n",
       "      <td>Etanercept</td>\n",
       "      <td>http://www.drugs.com/cdi/etanercept.html</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>DNC000605</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "<p>5 rows × 23 columns</p>\n",
       "</div>"
      ],
      "text/plain": [
       "  DrugBank ID                 Name   CAS Number    Drug Type KEGG Compound ID  \\\n",
       "0     DB00001            Lepirudin  138068-37-8  BiotechDrug              NaN   \n",
       "1     DB00002            Cetuximab  205923-56-4  BiotechDrug              NaN   \n",
       "2     DB00003         Dornase alfa  143831-71-4  BiotechDrug              NaN   \n",
       "3     DB00004  Denileukin diftitox  173146-27-5  BiotechDrug              NaN   \n",
       "4     DB00005           Etanercept  185243-69-0  BiotechDrug           C07897   \n",
       "\n",
       "  KEGG Drug ID  PubChem Compound ID  PubChem Substance ID  ChEBI ID  \\\n",
       "0       D06880                  NaN            46507011.0       NaN   \n",
       "1       D03455                  NaN            46507042.0       NaN   \n",
       "2          NaN                  NaN            46507792.0       NaN   \n",
       "3          NaN                  NaN            46506950.0       NaN   \n",
       "4       D00742                  NaN            46506732.0       NaN   \n",
       "\n",
       "   PharmGKB ID  ... GenBank ID DPD ID  \\\n",
       "0     PA450195  ...        NaN  11916   \n",
       "1      PA10040  ...     J00228  13175   \n",
       "2      PA10318  ...     M55983    650   \n",
       "3  PA164750594  ...     V01536    NaN   \n",
       "4     PA449515  ...     M32315  12032   \n",
       "\n",
       "                                         RxList Link Pdrhealth Link  \\\n",
       "0    http://www.rxlist.com/cgi/generic/lepirudin.htm            NaN   \n",
       "1     http://www.rxlist.com/cgi/generic3/erbitux.htm            NaN   \n",
       "2    http://www.rxlist.com/cgi/generic/pulmozyme.htm            NaN   \n",
       "3  http://www.rxlist.com/cgi/generic2/denileukin.htm            NaN   \n",
       "4   http://www.rxlist.com/cgi/generic/etanercept.htm            NaN   \n",
       "\n",
       "          Wikipedia ID                                     Drugs.com Link  \\\n",
       "0            Lepirudin            http://www.drugs.com/cdi/lepirudin.html   \n",
       "1            Cetuximab            http://www.drugs.com/cdi/cetuximab.html   \n",
       "2         Dornase_alfa         http://www.drugs.com/cdi/dornase-alfa.html   \n",
       "3  Denileukin_diftitox  http://www.drugs.com/cdi/denileukin-diftitox.html   \n",
       "4           Etanercept           http://www.drugs.com/cdi/etanercept.html   \n",
       "\n",
       "  NDC ID ChemSpider ID BindingDB ID     TTD ID  \n",
       "0    NaN           NaN          NaN  DAP000541  \n",
       "1    NaN           NaN          NaN  DNC000788  \n",
       "2    NaN           NaN          NaN  DAP000981  \n",
       "3    NaN           NaN          NaN  DAP001098  \n",
       "4    NaN           NaN          NaN  DNC000605  \n",
       "\n",
       "[5 rows x 23 columns]"
      ]
     },
     "execution_count": 40,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "drugbank_mapping.head()"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "1b8c162c",
   "metadata": {},
   "source": [
    "Looks like we need the PubChem IDs without their prefixes:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 41,
   "id": "eda45966",
   "metadata": {},
   "outputs": [],
   "source": [
    "cids = [cid.split(':')[1] for cid in custom_drugs]"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "060cf7f4",
   "metadata": {},
   "source": [
    "The PubChem IDs are floats in the table. This is probably because there are NaNs."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 42,
   "id": "e27275c0",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Index(['DrugBank ID', 'Name', 'CAS Number', 'Drug Type', 'KEGG Compound ID',\n",
       "       'KEGG Drug ID', 'PubChem Compound ID', 'PubChem Substance ID',\n",
       "       'ChEBI ID', 'PharmGKB ID', 'HET ID', 'UniProt ID', 'UniProt Title',\n",
       "       'GenBank ID', 'DPD ID', 'RxList Link', 'Pdrhealth Link', 'Wikipedia ID',\n",
       "       'Drugs.com Link', 'NDC ID', 'ChemSpider ID', 'BindingDB ID', 'TTD ID'],\n",
       "      dtype='object')"
      ]
     },
     "execution_count": 42,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "drugbank_mapping.columns"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 43,
   "id": "d8ce9b11",
   "metadata": {},
   "outputs": [],
   "source": [
    "db2pc = {}\n",
    "for dbid, pcid in zip(drugbank_mapping['DrugBank ID'], drugbank_mapping['PubChem Compound ID']):\n",
    "    if not math.isnan(pcid):\n",
    "        db2pc[dbid] = int(pcid)\n",
    "    #else:\n",
    "    #    db2pc[dbid] = pcid"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 44,
   "id": "29279cf1",
   "metadata": {},
   "outputs": [],
   "source": [
    "# Get all drugs from DrugMechDB\n",
    "dmdb_drugs = set(indications['db_id'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 45,
   "id": "005c16d3",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<matplotlib_venn._common.VennDiagram at 0x169992760>"
      ]
     },
     "execution_count": 45,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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",
      "text/plain": [
       "<Figure size 750x350 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "venn2_unweighted(\n",
    "    [set(db2pc.keys()), dmdb_drugs],\n",
    "    set_labels=['DrugBank IDs with mappings', 'Drugs in DrugMechDB']\n",
    ")"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "e84f1a80",
   "metadata": {},
   "source": [
    "15 of the drugs in DrugMechDB do not have mappings in this file.\n",
    "\n",
    "For some, this is because these drugs are small proteins or don't have a discrete structure.\n",
    "\n",
    "For others, the reference is just missing, so I looked them up manually:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 46,
   "id": "eb20512f",
   "metadata": {},
   "outputs": [],
   "source": [
    "db2pc['DB11254'] = '3610'\n",
    "db2pc['DB00994'] = '8378'\n",
    "db2pc['DB06762'] = '4826'\n",
    "db2pc['DB11100'] = '204'\n",
    "db2pc['DB11152'] = '119236'\n",
    "db2pc['DB13676'] = '4257'"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 47,
   "id": "7e2faec6",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<matplotlib_venn._common.VennDiagram at 0x1699f5dc0>"
      ]
     },
     "execution_count": 47,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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g0mcIYJRLhcJGMKltPLgRLh//aOsuDCfUfoFAcBAsSa06y8irDfcxFrcbgwW7d2Tm8rmw8eBGrcvoMxhOqP22bAFqarSugsJwxxlh52JrfVKO3cNr70iusLIQh+sPa11Gn8BXOrVPQ0MwnJDUqlM4s6Ov0vn9GO4za10GtWHD/g0Qgn1wXcVwQu2zeXPwGjokLUeymWua9HFpdids0GtdBoVR7arGrgqOy+sqhhNqW0UFsHu31lVQGEIBahL8WpdBPUwRAsO9nLkju68Pfw2vnxfZ7AqGE2rbRg7ykl1DuoVXHI4SiXYnUrhyrNScPie2lm7VuoyIxnBC4R08CBzmAC+ZBfQqamM8WpdBvWioi6du2W0v3Q6nl4PTO4uvcArvq6+0roDaUJtphh/s0okmMS4XsgMmrcugMLwBL747yuvudBbDCbWuuDg43oSk5TPpUG/kX2fRaJAzwIXZJLejfAfq3fValxGRGE6odV9/rXUF1Ia6dBOvnxOljF4v8sCF2WQWEAG2nnQSwwm1bO9eLrgmOb9BRYOBrSbRLM/J7jzZ7a7cDYfXoXUZEYfhhFq2lSPNZdeQZmarSZQzezzIEhx7IjO/8GN76Xaty4g4DCfU3NGjQGmp1lVQGAFVQb2ZC64RMMDNVYFlt7NiJzx+zqjrCIYTao7L1EvPnsYZOhRkc7mQBC7MJjOP34Od5Tu1LiOiMJxQU9XVwP79WldBYQgAdTFccI2OKXDrtC6B2rC9bDv8Af5B0V4MJ9QUx5pIz5FigQ+8zhEdk+hy8Zo7knN4HdhdxcuAtBfDCR1jtwNFRVpXQW2oi+dfX3QCAQz2cUl72W0r3aZ1CRGD4YSO+fFHIBDQugoKwxVvggccWEfNpTicMAgOjpVZjasGh+t5OZD2YDihY378UesKqA0NCXzLUsuUgEB/Yda6DGrDropdWpcQEXimo6BDh4B6LrMss4BOgUPv0roMklimmy2fsiupLuG04nZgOKGgXUzzsnMkc6l6Cs/idiNecFqxzPzCj92VHBjbFoYTAlyu4HL1JDW7jcGE2tbfz3AiO3bttI3hhIDduwE/Z4DIzGvRw6VwRVhqW4rTw6sVS67SWYkKB6/4Hg7DCXEgbASwJ3OaKLWP3u9DFjgwVnZsPQmP4STaVVYCVVVaV0FhCAB2EwfQUftlezmlWHZ7qvYgIDiAuTUMJ9GupETrCqgNrkQTV4SlDol3umDk6V1qbr+ba56EwVdvtGM4kZ4jjm9T6hhFCOQKk9ZlUBtKqnn+bQ3PetGstjZ4oT+SmlPPLh3quBQPR8XKbl/tPgjB31NLGE6iGVtNpOeOM8IPzqSijotze3iCl5zD60CpvVTrMqTE1240YziRnjNWp3UJFKGUQAAZ7NqRHrt2WsZwEq0aGoDycq2roDY4zWw1oc5L9/EUL7u9NXu1LkFKfOVGK64IKz2/SccrEFOXJHq8WpdAbaj31HNBthYwnESrgwe1roDa4EzgwmvUNQavDwngcvayO1jH8/GJGE6ikRDA0aNaV0FtcFi4QBN1XVaA4UR2XO+kOYaTaFRRAXjYXSAzoSpw6fg7oq5LcnMBP9kdbTjK1WJPwHASjQ4zpcvOHWeEANc/oK6L8XigB5ezl5kv4EO5nRMUjsdwEo0YTqTntnIKMXUTAaSA45dkx66dphhOok0gwPEmEcBt5BRi6j5JAYZd2TGcNMVwEm3KywEvpxfKzqPjOAHqPvFejmeQXam9lONOjsNwEm2OHNG6AmqD16zjkvXUrWK43on0fAEfyuxlWpchDYaTaMNVYaXnieX4AOpeOr8fNui1LoPawMXYjmE4iTaVlVpXQG1wWzizgrpfiuB6J7JjODmG4SSaeDxAXZ3WVVAb3HqON6Hul+Rn6JVdpYN/PDZiOIkmVVVaV0BtEKoCr8LF16j72TwMvbKrdlVzUOz/MJxEkwo2GcrOYzNw6TXqEWavFwpfXFILiACqndValyEFhpNowvEm0vOa+JaknqEIgRhwvRPZVTp5ngYYTqILw4n0fAwn1IPieYVi6XFQbBDPhNFCCKCazYWy8+nZ7k49xyY4KFZ2VU6ODQQYTqKH3Q74ubCX7LwqBy1Sz7HyFCC9OjdnVAIMJ9Gjvl7rCqgdfAo/PajnWANsmZOd3WPnjB0wnEQPhhPp+Y06BMCTEvUck4/hV3YCAnaPXesyNMdwEi0aGrSugNrgtXB5cepZBp+XJ/0IUO/hH5N8nUYLtpxIz2fm25F6mABiuYy99OrdPF/zbBgtGE6k5zNwJgX1vFiudSI9tpwwnEQPhhPp+XUcrEg9zwyGYNk1eNgNz3ASLewcYCW7gMpwQj3PEGA4kR3DCcNJdPB4gABngcguwAufUC/giBP5uXwurUvQHMNJNPDwKreRwM9wQr3AyLVOpOfx85zNcBIN3G6tK6B24Bon1Bt4hQT5uX08ZzOcRAO2nESEALhAFvU8PVtOpOcNeCFEdP+eGE6iAVtOpBdQFQhE98mIeoee488iQrR37TCcRAO2nEgvYOBbkXqHjuEkIrj90f1HJc+I0YDhRHoMJ9RbGE4iQ7S3nPBiHtFAsnDiDwTwwHvvYdmmTThaV4es+HgsOP10/L9zzoGiHFuDYeeRI/j1W2/h88JC+AIBDM/MxH9uuAG5SUkAgOuXLcPqnTtxuLYWNpMJp+fn4/GLLsLQjIzQfSjXX9/s8V+79lpcfsopPf9EO0DoGE5a0+BwYfHL/8XH67egoqYeIwpysPCmyzB6aP9m+/5myatY/v5a/PbGS3DNxTN7v9gIoERoOCn8thAfv/Ix9u/cj9qKWtz45I0YM31M6P+FEHjvT+9h3dvr4GxwIn90PubdOw/puenaFd0FDCfU90l2Mnp8xQr88fPP8Y+rr8aIzEx8vW8frv7HPxBvseDWGTMAAHvKyzH5iSdwzaRJePC88xBnseCHw4dh1h97yY7PzcXPJkxAblISqhwOPPDeezhryRKUPPIIdOqxD/u/z5+Ps0eMCH2fYLX23pNtJ442ad2vF/8ThXsP46l7r0Z6cgLeXr0JV97zNFb97QFkpCSG9lux/jt8t7MY6ckJ2hVLPcbj9CB7UDYmzZ2EpXcvbfb/K/+xEmv+tQYLHliAlH4pePeP7+LZW57FA288AIMp8lZ3CQi5ztu9jX+uRQPJRn1/UVyM88eMwZxRo9A/JQU/HT8eZw0fjq9KSkL73P/OOzhn5Ej84eKLMTY3F/mpqZg7ejTS4uJC+1w3dSqmDh6M/ikpGJebi9+ffz4OVFdjb2Vlk8dLsFqRER8fupkNEp6ouGhni1xuD1as+w73/eJiTDxpMPr3S8Pt889DXr80LHv389B+Ryuq8cDz/8Iz910DvZ7XjmlLJC6pM3LSSFxw0wUYe8bYZv8nhMAnr32Cc645B2Omj0H2oGxcvehq1JTXYMtnW3q/2G7A2TrU90n2Ij994EB8smsXCktLAQBbDxzA+qIi/GTkSABAIBDAB9u3Y3B6OmY/8wzS7roLEx99FO9s2dLqfdrdbvz9iy8wICUFOYmJTf7v5tdeQ8odd2DCo4/ibxs2RP2bPpL4/AH4AwGYjE0bec1GAzZ/vwdA8PVy+2N/x3WXnoXB/bO0KDPiKH0sDFccqkBdZR2GTRgW2maxWTBg5AAUby/WsLLOi/bZe+zWiQaSfRjfe/bZqHO5MHThQugUBX4h8PD55+NnEycCAMrq69HgduOxFSvw+/PPx+MXXYQVP/yAi5Yuxad33IFpgweH7uvFzz7DPW+9BbvbjSHp6Vh1220wHtf1s2juXMwYMgRWoxEf79iBm5YvR4PbHeo+koXoa58W3cRmNWPc8IF4dtmHKMjNREpiHN799Ct8u7MY/bPSAAB//NdK6HUqrr5Qrt+pzFQoCPShD7+6yjoAQFxyXJPtcUlxqK2s1aKkLov2P6IYTqjXvfHNN3j1q6+w/JprMCIrC1sOHMBtb7yBrIQEzD/tNAT+96Y8f/Ro3D4zOKhxTE4OvtizB0vXrm0STn42cSJmDRuGI7W1eHLVKlz65z9jwz33hLpufjtnTmjfsbm5sHs8eOLjj6ULJxx10rqn7/057n7yH5h4+a+hU1WMHJSLuWecgu2792N74T78/e01+OCP9zcZTE3hCQF2JUou2l/PDCfRQLIX+d3/+Q/unT07NGNmVL9+2FdZiUc/+gjzTzsNKTYb9KqK4ZmZTX5uWEYG1u/Z02RbvMWCeIsFg9LTcerAgUi8/Xa8/d13uGLChBYfe+KAAXjogw/g9nphkmjsSSSOAegteVmpeOOpu+BwutHgcCEtOR43P/Rn5Gak4Kvtu1FZU4/T590X2t8fCODhP72Jv721BhtefUTDyuUl+tgLrrHFpK6yDvEp8aHtdVV1yBmco1VZXaJEeXpkOIkGkoUTh8cDVW063EmnqqEWE6Nej1P698eP/xuT0qiwrAx5/5tG3BIhBIQQcPt8re6z5cABJFqtUgUTAGw4aQerxQSrxYTaejvWfr0D9/3iIvxkyjhMHjesyX7/d++zuHDmRFxy9ukaVSq/vjYPJKVfCuKS47Br8y7kDAmGEWeDEyXfl2DaxdM0rq5z2HJCfZ8q17jn8046CQ9/+CFyk5IwIjMT3x04gKdWr8bPTz/2YXL3WWfhsr/8BVMHDcIZQ4ZgxQ8/4L1t2/DZnXcCAIrLy/H611/jrOHDkRobi4PV1XhsxQpYjEac87+Bte9t3YrS+nqcOmAAzAYDVu3ciUc++gh3zZqlyfMOJ7pPQ+F9vvkHCCGQn5OBvYfL8Mif/4P8nAxccvYkGPQ6JMbbmuyv1+uQmhSH/JyMVu6RIpHL4UL5gfLQ9xWHKnDgxwOIiY9BUkYSzrziTHz41w+RlpOGlH4p+O8f/4uE1IQma6FEEracUN8nWSvBc5dfjt/+97+4aflylNXXIys+HtdPmYLfnXtuaJ8Lx47F0p/9DI+uWIFbX38dQ9LT8Z/rr8fkggIAgNlgwLqiIiz55BNUOxxIj4vD1EGD8MU994SmGxt0Orzw2We4/Y03IAAUpKbiqUsuwS8mT9biaYcX5YPfwqm3O/GHv76NoxU1iI+14idTxuGuqy+AgVOGOyU4+DryXm/7duzDUzc8Ffr+30//GwBw2rmnYcEDCzB7/mx4XB4se2QZHPUOFIwpwK3P3hqRa5wAgEEXmXV3F0VE+5DgaLBrF7B2rdZVUBheix6Hs1rvjiLqLn6dDqtjeQVs2V064lIkmBO0LkMzcrX3U88wGrWugNqg8/a1UQAkK79k3bzUMpPOpHUJmuKrNBownEhP9TGcUO/wqdE9liFSGHXRfd5mOIkGpuhO4JFCB46hoJ7nY8uJ9HSKDjo1us8HfJVGA7acRASVb0fqBWw5kV+0t5oADCfRgS0nEUEVfDtSz/NG+foZkcCk5zmbZ8NowJaTiKAKfmhQz/PyZSY9tpwwnEQHVQXMZq2roDaoAX5qUM/z9LGl6/uiGEOM1iVojuEkWsTGal0BtUHHcEK9wMtwIr1YE8/XDCfRguFEejquwUa9oEHhtHXZ2Yy2tnfq4xhOogXDifQMbn5oUM+rFV6tS6A2xBp5vmY4iRYMJ9LTO9l0Qj3Lr9OxWycCsFuH4SR62NhMKDu9yxfl1yGlnubR81qvkYAtJwwn0YMtJ9JTBKBHdF+JlHqWU8dTvuxMOlPUX5EYYDiJHgwnEUEfiO4lq6lnOXRsm5Mdu3SCGE6ihV7PgBIBDD6+Jann2FUOupZdojlR6xKkwDNhNElO1roCaoPey8GK1HPqFL/WJVAbkq08TwMMJ9ElJUXrCqgNek4nph5UB84Ik12KledpgOEkurDlRHpGOz88qGd4DXr4wJY52SVbeJ4GGE6iC8OJ9HQeP/TgdE/qfnYDZ4DIzma08YrE/8NwEk1sNsDEF77sTD6GE+p+NXxZSY+tJscwnEQbtp5Iz+jh25K6X6XKwbCy43iTY3gWjDYcFCs9UwOvfULdS6gKquDRugxqA2fqHMNwEm0yMrSugNpgbPBC4UL21I2cBiM4D0x+GTaenxsxnESbzExA4QefzBQBGIVR6zKoD6kz8FQvuyRLEsx6s9ZlSIOv2GhjMgFJSVpXQW0webmMPXWfGh2nEMsuKzZL6xKkwnASjbL4JpCd0ckPE+o+5QrHMcmO4aQphpNoxHAiPXM9By9S9/AaDHCAM3Vkl2nL1LoEqTCcRCOOO5Gezu2HUXDRLOq6GhNfR7JLtiRz8bUTMJxEI6ORU4ojgMXDDxXquqM6tprIjl06zTGcRKt+/bSugNpgqeU4AeqagKriqOLWugxqA8NJcwwn0SovT+sKqA2mei904Kwd6rx6s4nrm0hOr+rRL45/LJ6I4SRapacDVqvWVVAbLD6ud0KdV8GeQenlxOVAr/LCRydiOIlm/ftrXQG1wdLAKcXUeQfZpSO9AYkDtC5BSgwn0WwA3xSyM1e7uZQ9dYrTaISLnTpSUxUVufG5WpchJYaTaJaZGVwxlqSlBgRMAXbtUMdVmdhVILvsuGwYdXx/t4ThJJqpKgfGRoAYB9+m1HEHdZztJbv+Cf21LkFaPOtFO3btSM9aya4d6hiXyYgaMJzITIHCcBIGw0m0y85m147kVF8AVj+vVkrtd9TEKeiy6xfXj1chDoPhJNrpdEBBgdZVUBtiajmwkdpHKApKVM7Skd2Q5CFalyA1hhMChg7VugJqg7naDT04wJHaVmcxw8NZOlIz682cQtwGhhMCkpN5rR3JKQBi3BzVT207YODaOLIblDQIqsKP33B4dCiIrSfSi6n0aF0CSc6n0+MwXFqXQW0YmsLzbVsYTiiooADQs9tAZganDybBwcvUukqLEYITu6SWFpOGREui1mVIj+GEgoxGYOBAraugNtjsfMtS60q4ton02GrSPjzT0THs2pGetdzFKxVTi+xmM2oVhhOZGVQD8hPztS4jIjCc0DEZGUBqqtZVUBhqQMDm4sBYaq7YyIGwshuaMhQGHS8V3R4MJ9TU6NFaV0BtiC3jirHUlNtoxGGubSI1VVExKn2U1mVEDIYTamrAACAuTusqKAydNwCblytL0jH7zOzqk11BUgFsRpvWZUQMhhNqSlHYehIB4so5toCCfHo99ipOrcugNoxO53m1IxhOqLnBgwGLResqKAy904cYP39HBByyGjh9WHK58bmcPtxBDCfUnE4HjBypdRXUhrhKv9YlkMb8Oh2KVC66JrsxGWO0LiHiMJxQy0aMAAwcVS4zY70HZsGxJ9Gs1GqED5ylI7P0mHRk2DK0LiPiMJxQy4zGYEAhqcVV84MpWglVxW4dZ+jIblzmOK1LiEgMJ9S6MWMAE5dLl5ml2g1zgK0n0ehIjBkuXn1Yahm2DOTE52hdRkRiOKHWGY2cuRMBEss59iTa+HU67NRxho7sJvSboHUJEYvhhMIbORKwWrWugsIwNnhh83HmTjTZF8OxJrLLjc/lWJMuYDih8PR64OSTta6C2hB/1MNVY6OE22hEEdc1kZoCBRP7TdS6jIjGcEJtGzIESErSugoKQ+/2I87N1pNosNuicl0TyQ1NGcp1TbqI4YTapijAqadqXQW1Ie6Ik1cs7uPsZjMOKVzXRGYG1YCTs9ja3FUMJ9Q+2dlAbq7WVVAYql8g3s4rFvdlO8wc/Cy7sZljYTGwFbOrGE6o/SZPDo5BIWnZjjphABfP64uqrBZUgddUklmSJQknpZ+kdRl9AsMJtZ/NBowfr3UVFIYCIKmSb+u+xq/TYbuRC67JbkruFKgK33/dgUeROmbUKCA5WesqKAxzjZtTi/uYvTYjF1yT3LCUYUi3pWtdRp/BcEIdo6rAlCnBQbIkrYTDbg6O7SPsZjOnDkvOordgYjanDncnhhPquLQ0YNgwraugMHTeABJrOTg20glVwTazT+syqA2n5ZwGo47vt+7EcEKdM2ECV46VXEyFE1ZedyeiHbRZUAeGE5llx2WjIKlA6zL6HIYT6hyjMdi9Q1JLOuRl906EcppM2Kk4tC6DwjDqjJiSy/NgT2A4oc7LywOGD9e6CgpD5/EjsY7NzZFGqAq2mgNcCVZyk3MnI9YUq3UZfRLDCXXNqacCiVymWWYx5ezeiTQHYiyoVbimicwGJQ1id04PYjihrtHrgRkzAB27DmSWdNADPbiAXiSot5ixU8fuHJnFGmMxKXeS1mX0aQwn1HXJycEBsiQtnTeAlHKVVy6WnE+vxzdGj9ZlUBiqouLMgWdydk4PYzih7jFqVPD6OyQtU50HiXZ270hLAbbFqHArXGxNZuMyxyEtJk3rMvo8hhPqPtOnAxauTCqz2KNOxPj5O5LRvlgLyhW2msgsw5aBsRljtS4jKjCcUPexWoGZM4OryJK0kg64eHFAydRaLdilchVYmcUYYjBz4EwoXB27V/BThLpXZiZw+ulaV0FhqH6BlFJw/IkkvAYDvjG4tC6DwtApOpyVfxasBi482VsYTqj7DR/O5e0lZ2zwIqme40+0JlQFW2IAryK0LoXCmJo3FakxqVqXEVUYTqhnTJoEZGRoXQWFYStzItbL8SdaKoo1owpcz0RmJ6WfhEHJg7QuI+ownFDPUFVg1izAZtO6EgojcT8XaNPKwVgrinm1Yallx2VjYj9ebVgLDCfUcywW4Kyzggu1kZQUAMn73DAJrtnQmypjLPiBC61JLd4UzwGwGmI4oZ6VkgKceSZn8EhMDQikHvBxBdleUm8x4xs9W0xkZtFbcHbB2VxoTUP8xKCel5cHTJ2qdRUUhs4bQNph8ArGPcxlMuIrk5sX9JOYUWfEOYPOQbw5XutSohrDCfWOwYOB007TugoKw+D0IbVcxynGPcRr0GOTxQcfODNHVnpVj9n5s5FsTda6lKjHcEK9Z9QoYMwYraugMEx1HqTUmLQuo8/x63T4OgZwgUvTy0pVVJw54ExkxmZqXQqB4YR624QJXANFctZKF5IbOMW4uwRUFVttOtTBp3UpFMa0vGnIS8jTugz6H4YT6n2TJwMDB2pdBYVhK3UyoHSDgKpiS6ye18yR3GnZp3EtE8kwnFDvUxRgxgwGFMnZSp1IrmdA6Sy/Tofv4hhMZHdq9qkYlT5K6zLoBIoQgqOzSBtCAJ9/DhQWal0JhWFPtaAijlNfO8Kv0+HbWJWrv0pucu5kDE8drnUZ1AKGE9Le+vXAjh1aV0Fh2FMsqIx3cp5JOzCYyE+Bgmn9p2Fw8mCtS6FWMJyQHDZuBLZt07oKCsORYkZFvIsBJQy/ToevY1XUMJhIS1VUnNH/DOQn5WtdCoXBcELy+Ppr4Ntvta6CwnAkm1GRwIDSEr9Oh802FbUKg4msdIoOMwfO5KycCMBwQnLZuhXYtEnrKigMV7wJFSk++OHXuhRpuI1GfG0NoIHThaVlUA2YlT8L2XHZWpdC7cBwQvIpKQE+/RTw8UQvK69Fj/IsBV52X6DBYsZXRje8Ck+lsrIZbTi74GwkWZK0LoXaieGE5FReDqxcCTh45VZZ+Q0qKnIMcClurUvRTFmMBVv0Tl4rR2JpMWmYnT8bFgOnxUcShhOSl90OrFgBVFZqXQm1QihAVa4FDVF4ld29cRb8qEbf844k+Yn5mN5/OnQqL2gZaRhOSG5eL7BmDbBvn9aVUBh1WVZUW6KjlSugqtgRa8QhxaV1KRTGuMxxODnrZK3LoE5iOCH5CREcJMupxlILTjV2Q/ThuTw+vR7fxiio5owcaekUHab1n4aCpAKtS6EuYDihyFFSElxR1sPlwGXliTGgIgN9cqBsvcWMb4weuBVeWVhWCeYEzBw4kwNf+wCGE4os9fXAJ58AZWVaV0KtCKgKqnPMfWYcilAU7I+1YJcaHd1WkWpw8mBMzp0MvarXuhTqBgwnFHkCAeCrr9jNIzl7igVV8W4EELktDV6DAVutCip58T5p6VU9JudO5lL0fQzDCUWu/fuBzz4DXByYKCufRY+KTBXuCPxwr46x4Du9i+uXSCzJkoSZA2ciwZygdSnUzRhOKLLZ7cHZPEeOaF0JtUIoQE0/C+pMkdHNI1QVe2wm7OE0YakNSxmG03JOYzdOH8VwQn3D998Hu3q4qqy0nIlmVCX54JN4iXenyYSt5gCvjyMxm9GGqXlTuQx9H8dwQn1HXV1wNg9bUaQVUBXU9rOgzijX4NKAqmKfzYRCtpZIbWjKUJyafSqMOqPWpVAPYzihvmfnzuC6KJxyLC1PrBGVaYAH2v+Oai1mbDN54eCFDKUVZ4rD1LypyIrN0roU6iUMJ9Q3ORzAhg3BtVFISgJAfYYFtTHazOjx6fX4MUaPg1zpVVqqouKk9JMwPnM8l6CPMgwn1LcdPAh8+SVQXa11JdQKn1mPqkw9nGovhQQFKI2x4nu9E74+vJptpMuJy8Gp2aci0ZKodSmkAYYT6vuECHb1fP01px1LzJFsRnVCzw6YdZhM2GEWXLdEYonmRJyafSpy4nO0LoU0xHBC0cPjAb79NjizJxC5C4P1ZUIBGtIsqLV54O/GMSBuoxG7LQoOKe5uu0/qXma9GSdnnYxhKcOgKIrW5ZDGGE4o+tTVBQfMcjyKtAKqgvoMC+osri6NR/Ea9CixGFDCWTjSUhUVI9NGYlzmOM7CoRCGE4peZWXAd98B+/ZpXQm1wm9QUZdhRr3R2aGrHft1Ouy3GlGkc0bw4vl9m07RYUjKEIzJGAOb0aZ1OSQZhhOiyspgSCku1roSaoXfpENNuhF2gzNsRAmoKg7HmPGjjoNdZaVX9RiWMgyjM0bDarBqXQ5JiuGEqFF1dTCk7NkTHERL0vGZ9ahPNaLB2LS7x6fX47DFiCLVyWvhSMqgGjAibQROSj8JZr1Z63JIcgwnRCeqqwO2bAGKirgcvqQCehUNaWZUJCgoNgewV2H3jaysBiuGpQzDyLSRMOlNWpdDEYLhhKg1Hg9QWAjs2AHU1GhdDTVSFKB/f2DkSAQy0lFSXYLvy75Hqb1U68roOFmxWRieOhz9E/pDVVSty6EIw3BC1B6HDwdDyt69nIasFZsNGDQIGDYs+O8TlNvLsbNiJ4qri+Hxcx0TLRh1RgxOHoxhKcO4eBp1CcMJUUc4HMCuXcEWlbo6ravp+/R6YOBAYPBgIDMz2GrSBl/Ah701e7G7cjcO1h3s0Cwf6py0mDQMSR6CQcmDoFf1WpdDfQDDCVFnVVQEx6UUFwMNDVpX03coCpCVFWwlGTgwGFA6yeF1oKiqCIWVhahyVnVjkZRiTUF+Yj4GJg5ErClW63Koj2E4IeoOpaXBWT7FxcHWFeoYVQ22jOTlBceTtNBt01WVjkqU1JRgf+1+VDgquv3+o0GiORH5SfnIT8xHvDle63KoD2M4IepOQgBHjwIHDgQvOlhZyWnJrTGbgZycYCDJzgaMvbc6qN1jx77afdhfux+H6g7BL7pvqfy+RKfokGHLQHZcNnLjczmOhHoNwwlRT3K5gEOHgkHl4EHAbte6Iu2oKpCSEuyyyc0F0tPbNYakp/kCPhyqO4T9tftxpOEIalw1WpekqSRLErLjspEdl40MWwbHkJAmGE6IelN1dXDmT3l5cPn82tq+27JiNAJpaUBGRvCWltal8SO9xeVzobShFEcbjuJow1GUO8oREH1zhpaqqEi2JCMtJg1pMWnoF9ePq7aSFBhOiLTk9QaDSuOtrCwyB9eaTEBiIpCUFLylpwe/StAy0lX+gB/ljnKUNpSi2lWNKmcValw18AUia4E+BQoSzAlIjUlFWkwaUq2pSLYmcw0SkhLDCZFsPJ5gi8rxt7q64Fe3W7u6VBWwWoODVRMSguEjMTF4s0bXX9tCCNR76lHtrG4SWBxeB5zejl2ksLtZDVbEm+IRb45HnCmuyb/ZRUORguGEKJK4XEB9PeB0BmcFOZ3Bm9t97ObxBBeKO/EmxLGven3wZjA0/2owBMNGTEzTm8Wi9bOPCAERgMPrgN1jh91rD/3b4XXAF/DBG/AGv/q9Tb73BXxQFbXFmwIFOlUHo84Is94Mk84Ek94Ei94Cq8EKiyH4lQGE+gqGEyIiIpIKOxuJiIhIKgwnREREJBWGEyIiIpIKwwkRERFJheGEiIiIpMJwQkRERFJhOCEiIiKpMJwQERGRVBhOiIiISCoMJ0RERCQVhhMiIiKSCsMJERERSYXhhIiIiKTCcNLNpk+fjpEjR2pdRq/57LPPoCgKPvvss3bv++abb/Z8YRJSFAUPPPCA1mUQaWrBggXo37+/1mVEpf79++Pcc8/Vuox26VA4efnll6EoSuhmNpuRlZWF2bNn49lnn0V9fX1P1dluCxYsaFKjXq9HTk4OLr/8cuzYsUPr8sJasGABbDZbk23Tp08PPRdVVREXF4chQ4bgqquuwqpVqzSqNLzly5djyZIlWpdBFLEi4Vwri8Y/ehpvJpMJ6enpmD59Oh555BGUl5drXSIeeOCB0Dn8wIEDzf6/rq4OFosFiqLgl7/8pQYVNtWZY3ria1ZRFKSlpeGMM87ARx991OEa9J0pfNGiRRgwYAC8Xi+OHj2Kzz77DLfddhueeuopvPvuuzjppJM6c7fdxmQy4aWXXgIA+Hw+7NmzB0uXLsWKFSuwY8cOZGVlaVpfR2VnZ+PRRx8FANjtdhQVFeGtt97CsmXLcOmll2LZsmUwGAya1DZ16lQ4nU4YjcbQtuXLl+P777/HbbfdpklNsnI6ndDrO/WWoygl+7m2M/7yl78gEAh0+/3eeuutOOWUU+D3+1FeXo4vvvgCCxcuxFNPPYU33ngDM2bM6PbH7CiTyYTXXnsN99xzT5Ptb731lkYVhdeZY9r4mhVCoLS0FC+//DLOOeccvPfeex1rtREd8Pe//10AEJs3b272f5988omwWCwiLy9POByOsPfT0NDQkYftkPnz54uYmJhm299//30BQPz5z3/usccWQohp06aJESNGdOpnW6q9tfvz+XzipptuEgDEPffc06nH6ylz5swReXl5zbZ/+umnAoD497//3ftFEUWQSDjXyiLceWXLli0iLS1NJCQkiMOHD4e9n548VgsXLhQAxEUXXSTGjBnT7P9nzZolLr74YgFA3HzzzT1WR15enpgzZ06b+3XmmLb2mq2qqhIGg0HMmzevQ7V225iTGTNm4Le//S327duHZcuWhbY3dlXs2bMH55xzDmJjY/Gzn/0MQLD/a8GCBc3ua/r06Zg+fXqTbfv27cPcuXMRExODtLQ03H777Vi5cmW7xztkZGQAQJO/XKuqqnDXXXdh1KhRsNlsiIuLw09+8hNs3bq1yc82NnG98cYbePjhh5GdnQ2z2YwzzzwTRUVFbT72xx9/DKvViiuuuAI+n6/N/dtDp9Ph2WefxfDhw/H888+jtrY29H+rVq3C5MmTkZCQAJvNhiFDhuA3v/lN2Pu76KKLMG7cuCbbzjvvPCiKgnfffTe0bdOmTVAUJdRMd+KYk+nTp+ODDz7Avn37Qk17J/YvBwKBTh3HxqbRwsJCXHnllYiPj0dqaip++9vfQgiBAwcO4Pzzz0dcXBwyMjKwePHiJj/v8Xjwu9/9DuPHj0d8fDxiYmIwZcoUfPrpp03227t3LxRFwZNPPomnn34aeXl5sFgsmDZtGr7//vsm+za+vouLizF79mzExMQgKysLixYtghCiyb4njjlpfD5FRUVYsGABEhISEB8fj6uvvhoOh6PJzzqdTtx6661ISUlBbGws5s6di0OHDjW7z/r6etx2223o378/TCYT0tLSMGvWLHz77bdtHl+KDLKca3fv3o2LL74YGRkZMJvNyM7OxuWXX97kXNSSE8ecHP9++/Of/4z8/HyYTCaccsop2Lx5c4ePz/FGjx6NJUuWoKamBs8//3xoe+N7b8eOHZg3bx4SExMxefLkVo9JS3UDQGVlJa666irExcUhISEB8+fPx9atW6EoCl5++eVm9zFv3jxs2bIFu3btCm07evQo1qxZg3nz5rX4HNxuNxYuXIiCggKYTCbk5OTgnnvugdvtbrbvsmXLMGHCBFitViQmJmLq1Kn4+OOPm+23fv16TJgwAWazGQMHDsQ///nPFh+7Ja0d09YkJCTAYrF0uNW4WwfEXnXVVQDQ7GD4fD7Mnj0baWlpePLJJ3HxxRd36H7tdjtmzJiB1atX49Zbb8X999+PL774Ar/+9a9b/ZmKigpUVFSgtLQUX375JW6//XYkJyc3aVYqLi7GO++8g3PPPRdPPfUU7r77bmzfvh3Tpk3D4cOHm93nY489hrfffht33XUX7rvvPmzcuDH05m/N+++/j7lz5+KSSy7BsmXLurVZX6fT4YorroDD4cD69esBAD/88APOPfdcuN1uLFq0CIsXL8bcuXOxYcOGsPc1ZcoUbN26FXV1dQAAIQQ2bNgAVVWxbt260H7r1q2DqqqYNGlSi/dz//33Y8yYMUhJScErr7yCV155pdn4k84cx+NddtllCAQCeOyxxzBx4kT8/ve/x5IlSzBr1iz069cPjz/+OAoKCnDXXXdh7dq1oZ+rq6vDSy+9hOnTp+Pxxx/HAw88gPLycsyePRtbtmxp9jj//Oc/8eyzz+Lmm2/Gfffdh++//x4zZsxAaWlpk/38fj/OPvtspKen4w9/+APGjx+PhQsXYuHChe16Ppdeeinq6+vx6KOP4tJLL8XLL7+MBx98sMk+CxYswHPPPYdzzjkHjz/+OCwWC+bMmdPsvm644Qb88Y9/xMUXX4wXX3wRd911FywWC3bu3NmuWigyaH2u9Xg8mD17NjZu3IhbbrkFL7zwAq677joUFxejpqamU89p+fLleOKJJ3D99dfj97//Pfbu3YuLLroIXq+3U/fX6Kc//SksFkuLH9KXXHIJHA4HHnnkEfziF7/o0P0GAgGcd955eO211zB//nw8/PDDOHLkCObPn9/qz0ydOhXZ2dlYvnx5aNvrr78Om83W4vs5EAhg7ty5ePLJJ3HeeefhueeewwUXXICnn34al112WZN9H3zwQVx11VUwGAxYtGgRHnzwQeTk5GDNmjVN9isqKsJPf/pTzJo1C4sXL0ZiYiIWLFiAH374od3PPdwxra2tRUVFBcrLy/HDDz/gxhtvRENDA6688sp23z+A7uvWaRQfHy/Gjh0b+n7+/PkCgLj33nub7ZuXlyfmz5/fbPu0adPEtGnTQt8vXrxYABDvvPNOaJvT6RRDhw4VAMSnn37a7PFOvPXr10988803TR7H5XIJv9/fZFtJSYkwmUxi0aJFoW2NTVzDhg0Tbrc7tP2ZZ54RAMT27dub1N7YDfOf//xHGAwG8Ytf/KLZ47SkI906jd5++20BQDzzzDNCCCGefvppAUCUl5e3+XjH27x5swAgPvzwQyGEENu2bRMAxCWXXCImTpwY2m/u3LlNfr+Nx+b430Fb3TrtOY4taWwave6660LbfD6fyM7OFoqiiMceeyy0vbq6WlgsliavL5/P1+RxG/dLT08XP//5z0PbSkpKBABhsVjEwYMHQ9s3bdokAIjbb789tK3x9XbLLbeEtgUCATFnzhxhNBqb/B4AiIULFzZ7Psc/thBCXHjhhSI5OTn0/TfffCMAiNtuu63JfgsWLGh2n/Hx8T3aLEy9Q/Zz7XfffdfpLtr58+c3OT80vt+Sk5NFVVVVaPt///tfAUC89957Ye+vPd3Fo0ePFomJiaHvG997V1xxRbN9TzwmrdX9n//8RwAQS5YsCW3z+/1ixowZAoD4+9//3uzxysvLxV133SUKCgpC/3fKKaeIq6++WgghmnXrvPLKK0JVVbFu3bomtSxdulQAEBs2bBBCCLF7926hqqq48MILm33WBAKB0L/z8vIEALF27drQtrKyMmEymcSdd94Z2taZY9r4mj3xZjKZxMsvv9zq/bSm26cS22y2FkeS33jjjZ2+zxUrVqBfv36YO3duaJvZbG416ZrNZqxatQqrVq3CypUr8ac//Qk2mw3nnHMOCgsLQ/uZTCaoavAQ+P1+VFZWhrpBWmoGv/rqq5sM/JwyZQqAYAvMiV577TVcdtlluP766/GnP/0p9DjdrXF2T+MxT0hIAAD897//7dCgs7Fjx8Jms4VaGtatW4fs7Gz83//9H7799ls4HA4IIbB+/frQ8+6sjhzHllx77bWhf+t0Opx88skQQuCaa64JbU9ISMCQIUOa3KdOpws9biAQQFVVFXw+H04++eQWf98XXHAB+vXrF/p+woQJmDhxIj788MNm+x4/wr5xxL3H48Hq1avbfD433HBDk++nTJmCysrKUCvWihUrAAA33XRTk/1uueWWZveVkJCATZs2tdjyR32Llufa+Ph4AMDKlSubdUF21mWXXYbExMTQ9x09L4TT2rE68b3XEStWrIDBYGhybFRVxc033xz25+bNm4eioiJs3rw59LW1Lp1///vfGDZsGIYOHRrqDaioqAgNRG3skn7nnXcQCATwu9/9rtlnjaIoTb4fPnx4k3N4ampqs3Nle7R2TF944YXQ5++yZctwxhln4Nprr+3woN9u/8RsaGhAbGxsk216vR7Z2dmdvs99+/YhPz+/2UEuKChocX+dToeZM2di5syZOOuss3Dddddh9erVqK2txX333RfaLxAI4Omnn8agQYNgMpmQkpKC1NRUbNu2rcV+09zc3CbfN76Rqqurm2wvKSnBlVdeiYsvvhjPPfdcs7q7U0NDAwCEjvlll12GSZMm4dprr0V6ejouv/xyvPHGG20GFZ1Oh9NOOy3UhbNu3TpMmTIFkydPht/vx8aNG7Fjxw5UVVV1OZy09zi29+fj4+NhNpuRkpLSbPuJ9/mPf/wDJ510EsxmM5KTk5GamooPPvigxd/3oEGDmm0bPHgw9u7d22SbqqoYOHBgs/0ANNu3Pc/nxOOxb98+qKqKAQMGNNmvpdf/H/7wB3z//ffIycnBhAkT8MADD3TLyZ3ko+W5dsCAAbjjjjvw0ksvISUlBbNnz8YLL7zQ5niTcLp6XginpWMFoNl7qiP27duHzMxMWK3WJttb+1xqNHbsWAwdOhTLly/Hq6++ioyMjFZnEu3evRs//PADUlNTm9wazy9lZWUAgD179kBVVQwfPrzNuk88zkDwWHf0OLd2TCdMmBD6/P3Zz36GDz74AMOHDw/9wdZe3RpODh48iNra2ma/nONbKI7X2oe23+/vzrIABKfjDhkypMkYhEceeQR33HEHpk6dimXLlmHlypVYtWoVRowY0eKHuU6na/G+xQkDHzMzM3H66afjww8/xNdff929T+QEjQM0G4+5xWLB2rVrsXr1alx11VXYtm0bLrvsMsyaNavN4zp58mRs3rwZLpcrFE4SEhIwcuRIrFu3LhRcuhpO2nscO/Lz7bnPZcuWYcGCBcjPz8df//pXrFixAqtWrcKMGTN6ZGpje3X1eBzv0ksvRXFxMZ577jlkZWXhiSeewIgRIzq1zgDJS4Zz7eLFi7Ft2zb85je/CQ3YHjFiBA4ePNip++vO98HxvF4vCgsLWwwNFoul2bbe+FyaN28eXn/9dSxfvhyXXXZZqy3rgUAAo0aNCrVEnHg7sTW1PbrjOIc7pidSVRVnnHEGjhw5gt27d7f7Mbo1nLzyyisAgNmzZ7dr/8TExBYHT+3bt6/J93l5edizZ0+zg9eeGR7H8/l8oZYGAHjzzTdxxhln4K9//Ssuv/xynHXWWZg5c2anB3Q1MpvNeP/99zFo0CCcffbZHRpo1BF+vx/Lly+H1WoNjTQHgi+GM888E0899RR27NiBhx9+GGvWrGk2K+VEU6ZMgcfjwWuvvYZDhw6FQsjUqVND4WTw4MFIT08Pez892VLUFW+++SYGDhyIt956C1dddRVmz56NmTNnwuVytbh/S2+kwsLCFmcfndg60dh92B0rYebl5SEQCKCkpKTJ9tZe/5mZmbjpppvwzjvvoKSkBMnJyXj44Ye7XAfJQ5Zz7ahRo/D//t//w9q1a7Fu3TocOnQIS5cubVdNveXNN9+E0+nskWN15MiRZt1a7flcmjdvHo4cOYLCwsJWu3QAID8/H1VVVTjzzDNDrRHH34YMGRLaLxAI9NpCox09po2zVI///G1Lt4WTNWvW4KGHHsKAAQPaPfMiPz8fGzdubNLU8/777zdbQW/27Nk4dOhQkymtLpcLf/nLX9pdX2FhIX788UeMHj06tE2n0zV7E/773//GoUOH2n2/rYmPj8fKlStDUzn37NnT5fs8nt/vx6233oqdO3fi1ltvRVxcHIDg9OgTjRkzBgBanHp2vIkTJ8JgMODxxx9HUlISRowYASAYWjZu3IjPP/+8Xa0mMTExXWre7SmNfzEc/zvftGkTvvzyyxb3f+edd5q8Fr766its2rQJP/nJT5rte/yUOiEEnn/+eRgMBpx55pldrrvxBPDiiy822f7cc881+d7v9zc77mlpacjKymrzd0+RQ4ZzbV1dXbNlEUaNGgVVVaV6rW3duhW33XYbEhMT2xwL0ig/Px+7du1qsgrq1q1bm814nD17Nrxeb5NjEwgE8MILL7TrMZYsWYJHH30UEyZMaHW/Sy+9FIcOHWrxs87pdMJutwMIjo9TVRWLFi1q1grc1ZanE3X0mHq9Xnz88ccwGo0YNmxYux+nU/NaP/roI+zatQs+nw+lpaVYs2YNVq1ahby8PLz77rswm83tup9rr70Wb775Js4++2xceuml2LNnD5YtW4b8/Pwm+11//fV4/vnnccUVV+BXv/oVMjMz8eqrr4Ye58S/1H0+X2j+fyAQwN69e7F06VIEAoEm0zvPPfdcLFq0CFdffTVOP/10bN++Ha+++mqz8QOdlZKSElpzZObMmVi/fn2TAZbtVVtbG3o+DocjtELsnj17cPnll+Ohhx4K7bto0SKsXbsWc+bMQV5eHsrKyvDiiy8iOzu7SetKS6xWK8aPH4+NGzeG1jgBgi0ndrsddru9XeFk/PjxeP3113HHHXfglFNOgc1mw3nnndfh593dzj33XLz11lu48MILMWfOHJSUlGDp0qUYPnx4i4m+oKAAkydPxo033gi3240lS5YgOTm52eqOZrMZK1aswPz58zFx4kR89NFH+OCDD/Cb3/wGqampXa57/PjxuPjii7FkyRJUVlbi1FNPxeeffx5qnWn8PdXX1yM7Oxs//elPMXr0aNhsNqxevRqbN29utuYLRQZZz7Vr1qzBL3/5S1xyySUYPHgwfD4fXnnlFeh0ug5PX+4u69atg8vlCk1u2LBhA959913Ex8fj7bffDq111Zaf//zneOqppzB79mxcc801KCsrw9KlSzFixIjQIHUgGAgmTJiAO++8E0VFRRg6dCjefffd0B+IbbUg/+pXv2qzlquuugpvvPEGbrjhBnz66aeYNGkS/H4/du3ahTfeeAMrV67EySefjIKCAtx///146KGHMGXKFFx00UUwmUzYvHkzsrKyQiuMd1RnjmnjaxYIjolZvnw5du/ejXvvvTf0R3S7dGRqz4lThYxGo8jIyBCzZs0SzzzzjKirq2v2M62t2Npo8eLFol+/fsJkMolJkyaJr7/+usWpXMXFxWLOnDnCYrGI1NRUceedd4amcm3cuLHJ4+GEqUxxcXHizDPPFKtXr25yny6XS9x5550iMzNTWCwWMWnSJPHll182e/zWplU1ToE7fspYS1N/i4qKRGZmphg2bFjYKb6tTSU+/rnYbDYxaNAgceWVV4qPP/642X188skn4vzzzxdZWVnCaDSKrKwsccUVV4jCwsJWH/d4d999twAgHn/88SbbCwoKBACxZ8+eJttbmkrc0NAg5s2bJxISEgSA0PS7jhzHlhw/He94rb3GTvxdBAIB8cgjj4i8vDxhMpnE2LFjxfvvv9/q1MYnnnhCLF68WOTk5AiTySSmTJkitm7d2uJj79mzR5x11lnCarWK9PR0sXDhwmZT+tDKVOITn0/j+6ykpCS0zW63i5tvvlkkJSUJm80mLrjgAvHjjz8KAKEp1G63W9x9991i9OjRIjY2VsTExIjRo0eLF198MexxJfnIfq4tLi4WP//5z0V+fr4wm80iKSlJnHHGGc3OsS0J93470YnvmZY0nlcabwaDQaSmpoqpU6eKhx9+WJSVlTX7mdbee42WLVsmBg4cKIxGoxgzZoxYuXJls7qFEKK8vFzMmzdPxMbGivj4eLFgwQKxYcMGAUD861//avfjHf98T1wKwOPxiMcff1yMGDFCmEwmkZiYKMaPHy8efPBBUVtb22Tfv/3tb2Ls2LGh/aZNmyZWrVoV+v/WVoht7TOvI8e0panEZrNZjBkzRvzxj39sMqW5PToUTmTTuKbH8WtREHVVuJPlidr6QOhJjWtNLFu2TJPHp+jBc237Na49tX79eq1LiWg9s/hGD3A6nU2+d7lc+NOf/oRBgwZ1qquEKJKc+PoHgCVLlkBVVUydOlWDiqiv4rm2/U48Vn6/H8899xzi4uKaXQ6EOiZiLpF60UUXITc3F2PGjAmNwdi1axdeffVVrUsj6nF/+MMf8M033+CMM86AXq/HRx99hI8++gjXXXcdcnJytC6P+hCea9vvlltugdPpxGmnnQa324233noLX3zxBR555JEWpylT+0VMOJk9ezZeeuklvPrqq/D7/Rg+fDj+9a9/Nbu+AFFfdPrpp2PVqlV46KGH0NDQgNzcXDzwwAO4//77tS6N+hiea9tvxowZWLx4Md5//324XC4UFBTgueeea7JiNHWOIkQ3zzMiIiIi6oKIGXNCRERE0YHhhIiIiKTCcEJERERSYTghIiIiqTCcEBERkVQYToiIiEgqDCdEREQkFYYTIiIiksr/BycUh73o16C/AAAAAElFTkSuQmCC",
      "text/plain": [
       "<Figure size 750x350 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "venn2_unweighted(\n",
    "    [set(db2pc.keys()), dmdb_drugs],\n",
    "    set_labels=['DrugBank IDs with mappings', 'Drugs in DrugMechDB']\n",
    ")"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 48,
   "id": "06cfdb89",
   "metadata": {},
   "outputs": [],
   "source": [
    "dmdb_drug_pc_ids = {str(db2pc[d]) for d in set(db2pc.keys()).intersection(dmdb_drugs)}"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 49,
   "id": "9589d252",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "94"
      ]
     },
     "execution_count": 49,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(dmdb_drug_pc_ids)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 50,
   "id": "7832cac5",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<matplotlib_venn._common.VennDiagram at 0x169a3cfa0>"
      ]
     },
     "execution_count": 50,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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",
      "text/plain": [
       "<Figure size 750x350 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "venn2_unweighted(\n",
    "    [set(cids), dmdb_drug_pc_ids],\n",
    "    set_labels=['Drugs in KG', 'Drugs in DrugMechDB']\n",
    ")"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "1d8af421",
   "metadata": {},
   "source": [
    "Only 22 of those 94 are in the KG. Is it worth incorporating the 72 into the KG? Perhaps we can see whether their protein targets are already in the KG, and whether we need to incorporate them.\n",
    "\n",
    "### Protein Overlap\n",
    "\n",
    "First, let's get all the proteins from the paths and see how many of them are in the KG."
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 51,
   "id": "03f7988a",
   "metadata": {},
   "outputs": [],
   "source": [
    "prots_in_kg = set(filtered_df['GeneID'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 52,
   "id": "6f796ba2",
   "metadata": {},
   "outputs": [],
   "source": [
    "dmdb_proteins = set()\n",
    "for path in bp_paths:\n",
    "    for node in path['nodes']:\n",
    "        if node['label'] == 'Protein':\n",
    "            dmdb_proteins.add(node['id'])"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 53,
   "id": "e642b88c",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "56"
      ]
     },
     "execution_count": 53,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(dmdb_proteins)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 54,
   "id": "8d69277b",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{'MESH:D012338',\n",
       " 'MESH:Q14145',\n",
       " 'UniProt:O05131',\n",
       " 'UniProt:O43497',\n",
       " 'UniProt:O76074',\n",
       " 'UniProt:P01148',\n",
       " 'UniProt:P04083',\n",
       " 'UniProt:P04150',\n",
       " 'UniProt:P04585',\n",
       " 'UniProt:P06401',\n",
       " 'UniProt:P08546',\n",
       " 'UniProt:P08588',\n",
       " 'UniProt:P08908',\n",
       " 'UniProt:P09917',\n",
       " 'UniProt:P0A0H0',\n",
       " 'UniProt:P0A298',\n",
       " 'UniProt:P0A7J3',\n",
       " 'UniProt:P0A7S3',\n",
       " 'UniProt:P0C1U9',\n",
       " 'UniProt:P10275',\n",
       " 'UniProt:P10721',\n",
       " 'UniProt:P11388',\n",
       " 'UniProt:P11511',\n",
       " 'UniProt:P14416',\n",
       " 'UniProt:P14867',\n",
       " 'UniProt:P16234',\n",
       " 'UniProt:P19235',\n",
       " 'UniProt:P20831',\n",
       " 'UniProt:P22301',\n",
       " 'UniProt:P23219',\n",
       " 'UniProt:P23945',\n",
       " 'UniProt:P23975',\n",
       " 'UniProt:P25021',\n",
       " 'UniProt:P31645',\n",
       " 'UniProt:P35348',\n",
       " 'UniProt:P35354',\n",
       " 'UniProt:P35367',\n",
       " 'UniProt:P35372',\n",
       " 'UniProt:P43702',\n",
       " 'UniProt:P44350',\n",
       " 'UniProt:P47712',\n",
       " 'UniProt:P48048',\n",
       " 'UniProt:P48357',\n",
       " 'UniProt:P54289',\n",
       " 'UniProt:P55017',\n",
       " 'UniProt:P71707',\n",
       " 'UniProt:P72525',\n",
       " 'UniProt:P9WGY7',\n",
       " 'UniProt:Q01726',\n",
       " 'UniProt:Q12791',\n",
       " 'UniProt:Q16236',\n",
       " 'UniProt:Q81VT3',\n",
       " 'UniProt:Q8DR59',\n",
       " 'UniProt:Q9BQB6',\n",
       " 'UniProt:Q9HB55',\n",
       " 'UniProt:Q9NZQ7'}"
      ]
     },
     "execution_count": 54,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "dmdb_proteins"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "2933d043",
   "metadata": {},
   "source": [
    "If we look into those proteins, most have [UniProt](https://www.uniprot.org) IDs, but some are under [MeSH](https://www.nlm.nih.gov/mesh/meshhome.html) terms.\n",
    "\n",
    "MESH:Q14145, can not even be found in the MeSH browser.\n",
    "\n",
    "I will just look at the UniProt proteins then. I will need to map them to ncbi gene IDs first:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 55,
   "id": "5a9788a7",
   "metadata": {},
   "outputs": [],
   "source": [
    "# get rid of MeSh terms:\n",
    "dmdb_proteins = {p for p in dmdb_proteins if 'UniProt' in p}"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 56,
   "id": "b901a845",
   "metadata": {},
   "outputs": [],
   "source": [
    "def uniprot2ncbi(uniprot_ids):\n",
    "    \"\"\"Outputs a dictionary mapping from uniprot IDs to ncbi gene IDs.\n",
    "    :param uniprot_ids: a list of uniprot IDs with UniProt: prefix\n",
    "    :returns: dictionary with uniprot as keys as ncbi gene as values\n",
    "    \"\"\"\n",
    "    up2ncbi = {up_id: None for up_id in uniprot_ids}\n",
    "    for up_id in tqdm(uniprot_ids):\n",
    "        up = up_id.split(':')[1]\n",
    "        r = requests.get(f'https://rest.uniprot.org/uniprotkb/search?query={up}')\n",
    "        xrefs = r.json()['results'][0]['uniProtKBCrossReferences']\n",
    "        for xref in xrefs:\n",
    "            if xref['database'] == 'GeneID':\n",
    "                up2ncbi[up_id] = 'ncbigene:' + xref['id']\n",
    "                break\n",
    "    return up2ncbi"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 57,
   "id": "c7be9230",
   "metadata": {},
   "outputs": [
    {
     "name": "stderr",
     "output_type": "stream",
     "text": [
      "100%|█████████████████████████████████████████████████| 54/54 [00:18<00:00,  2.89it/s]\n"
     ]
    }
   ],
   "source": [
    "dmdb_prot_mappings = uniprot2ncbi(dmdb_proteins)"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "0e7b6dd8",
   "metadata": {},
   "source": [
    "How many did not map?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 58,
   "id": "960971bf",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "8"
      ]
     },
     "execution_count": 58,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len([i for i in dmdb_prot_mappings.values() if i == None])"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "83d772f3",
   "metadata": {},
   "source": [
    "How many in the KG?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 59,
   "id": "f62a8003",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "<matplotlib_venn._common.VennDiagram at 0x169af4d30>"
      ]
     },
     "execution_count": 59,
     "metadata": {},
     "output_type": "execute_result"
    },
    {
     "data": {
      "image/png": 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ZaaqCNicDOVVZg0FUc9KX1MJaGJ8e+lTvMugrqR3Kn/KFJrvOYhvPkZziqjwhGISidxkUw97Wvah3c5dDGaRuKO/aBTQ16V0FxRAxG9Bh9etdBiWYMRzGOLaWpcfWshxSM5QjEeALrsGTXVuRmWeAShOlbj8sIjUPN6mi3lOPva0c7tNbar5LtmwB3Jy4ILOQ3QS3iTt3pQtV0zAxYtW7DOrHF4e/gCb4QVlPqRfKwSCwfr3eVVA/WgtS76VHsbk8XmTCqHcZFEN7oB07m3fqXUZaS70j48aNgJ/jlDLzZ1vgMwT0LoNGmgAmBLkvtuy+PPIlIhonX+oltUI5EAA2cSG87Npz9a6A9JLl9SEbDGaZeUIebGvapncZaSu1QnnrViDEE3jLLJBphl9hKzmdjQmyC1t2G+s3cmxZJ6kTypEIsHmz3lVQPzpyea7ddJfr8/Gcy5JzB93Y07JH7zLSUuqE8o4dgI+zeWUWshnhNfBvlPYEMDbMPbFlt6F+g94lpKXUCGUheK7kJNDp4lgiRbm8fp7aUXItvhYcbD+odxlpJzXeFfv2AR0deldBMUTMBrhNnBVPUaqmYUyErWXZra9br3cJaSc1QpnrkqXXWWCBAM8YRF8r9gZT5ACUuo66j6LBw3PRj6Tkf08cOcI9riWnqQo6LWwlU0+GSAQ1GvfElt2GOo4tj6TkD+WtW/WugPrhKbByj2vqVZkvrHcJ1I/a9lr4QpygOVKSO5T9fmD/fr2roH64HdwdiHpnDoVQALPeZVAMmtCwo3mH3mWkjeQO5V27AI0tMJkFnSYEEdS7DJLYqBDXLMtuRxNDeaQkdyhv3653BdQPTw6XQVFsOb4ADELRuwyKoT3QjqOdR/UuIy0kbyjX1wOtrXpXQTEIBfCYuaUmxaZqGkYJntZRdtub2AgaCckbyjvYnSI7X64VEXA8mfpXGuRyOdnta9uHYIRDUYmWnKEcCgF7uC+r7DyZeldAycLh98MhOLYss7AWxu6W3XqXkfKSM5T37+fZoCQXManwqVybTANXqXGHL9ntbN6pdwkpLzlDed8+vSugfnjyLNy/iwal0M8P2rJr8DTAG/LqXUZKS75QDoeBQ4f0roL64bVzLJkGxxQKIZ9rlqW3r5WNokRKvlA+eDAazCStiNmAgMIJITR4xRGOK8tuXxtDOZGSL5TZdS09XzbXJtPQ5AbYwyK7Oncd/GHOF0mU5AplTQMOHNC7CuqHz6F3BZSsrMEg7GBrWWaa0FDbVqt3GSkruUL58GEgyG5RmQkF8Kv8G9HQlUTY0yI7dmEnTnKFMruupefPtvCMUDQsLk4Zkd7hjsMIRThbPhGSK5Q561p6vgx2PdLwZASC3AtbchERwVE398JOhOQJ5c5OwO3Wuwrqh8/ErmsaHkXTUARuJCK7I51H9C4hJSVPKB/hC0B2QbsRYbDvkYavKMyWsuwYyonBUKa48Wdx4weKj8wgP9zJrtnbzBNUJABDmeImaOHGmhQf5lAIFpE8h6d0JCB4juUESI5XfXs74PHoXQX1I2DgbEyKn3xwaZTs2IUdf8kRymwlSy9iNnA8meIqT+NMftkxlOMvOUL5KLtIZBfIMOpdAqWYzBDXu8uu2deMQDigdxkpJTlCubFR7wqoHwE7WzUUXzbu3pcUmrxNepeQUuQP5XAY6OjQuwrqR9DEEwlQfKmahmyOK0uv2desdwkpRf5Qbm4GBGf1ykwAPFUjJYRL47CI7Jq9DOV4So5QJqmFnGYI8IMTxV8W5w5Kjy3l+JI/lJs4XiG7oIPjyZQYzjCHRWTX5m9DROPfKV7kD2W2lKUX4rAfJYg5zKay7DShocXXoncZKUPuUBYCaOEfW3ZhE7uuKTEUTYMd7ImRHbuw40fuUG5vByLsFpFdSOV6UkqcTHCyl+zYUo4fuUOZS6GSQhjcXpMSxxnhGaNk1xHgsTpe5A7lzk69K6B+hK1GzrymhHLyxBTS6wzwWB0vcr/aGcrSC9k43keJZYtweER27qBb7xJShtyh7OYfWnZhi9wvIUp+Foay9EJaCP6wX+8yUoLcR1S2lKUXNnG8jxLLHOachWTALuz4YCjTsISMbMVQYimagENwmER2nUEer+NB3lAOhwE/u0NkpykMZUo8m8JQlh3HleND3lDmeHJS0BTOvKbEMwsOk8iOoRwf8oYyW8lJQQNbypR4ZokPVRTFiV7xIe8rnSc4TwoRcMc1SjwLO2SkF4zwmB0PDGUasohJ3pcPpRYTu6+lFwgH9C4hJch7VA3wDyw7zSjvy4dSi5ktZemxpRwf8h5V2VKWnsaWMo0Qo2Aqyy4QYUMqHuQ9qrKlLD22lGmkmDSGsuzYUo4PeY+qbClLTzNwnI9GhoGhLL2wFoYmuBpjuOQ9UamEodzp9+O+t97CG+vXo6GzEyeVl+P3l1+OkysrEYpEcO+bb2LZ5s3Y29SELJsN548fj0e+8x2UZGd338dvli3D/920CesPHoTZaETbU0/1+lgv/Otf+N2qVdhZX49Mmw3fmzYNz1x11cj8ogOkcT+HXr309of4n3c+xKH66Infx1QU48f/9i2ce8okAEBDSzseXrwU/+/LbfD4/KguK8RtV12Ci8+apmfZUlNTqPva7/HjrT+9hfWr16OztRPl48px+Z2Xo3Jipd6lDVswEoTVaNW7jKQmbyhr8n3iWvTii9h85Aheuv56lGRn46+ffYbzn3wSWx94AE6rFWsPHsR9l16KKWVlaPV68ZP//b9x2TPPYM0vftF9H8FwGN+bPh2nV1fj//vnP3t9nN+tXIknVq3CY/Pn49SqKngCAexvbh6pX5OGqdiVjbsXfQeVpQUQAJau+AQ//OUf8X//dC/GVpbgzkefR4fbhyW/ugW5mU689f7nuPXXi/H2M/+BSWNG6V0+JdiLv34RR/YcwfUPXo9sVzY+W/YZnrzlSTzw2gPIKcjRu7xhYUt5+OTtvpbsk7EvGMTSdevw2/nzcdbYsRhdUIAH5s7F6IICPPvhh8iy2bDy9tuxcMYMjCsqwmnV1Xj6yivx5YEDONDS0n0//3nZZbjj/PMxubS018dp9Xhw71tv4cXrrsNVp5yCGpcLJ5aV4bIpU0bqV6VhOv/0KTj31MmoKitEdVkhfnbDPNhtFqzbthcA8OWWvbh23rmYekIVRpW48L+uuRSZDjs27zqgc+XyUiQ7HgxV0B/EuvfXYf6P52PstLEoKC/A3JvmoqC8AB++/qHe5Q2bSJG/k54YygMU1jRENA1WY8/OBZvJhI/37On1Z9p9PiiKgmybbcCPs3LbNmhC4HBbG8bffz/K7r4bCxcvxsFvBLsshMIx5f5EIhreXv0FfP4gpk2oBgBMn1iN//PBGrR1eKBp0e8HQiGcNmWsztXKK1VeaVpEgxbRYDT3PI6YLCbsWd/7cSSZCMh13E5G8nZfSxbKGVYrTq+uxq+WLcP44mIUZmbilc8/xyd792J0QcFxt/eHQrj773/HlSefjMxBhPLepiZoQuChd9/F7y+/HFk2G+596y1c8NRT2PjLX8JslOhPlipHygTYvvcwvvvjRxEIhmC3WfDcAz/CmIoSAMDT9/0Qt/3qvzH1uz+F0aDCZjHjuQduRmXp8a8j6iLX8WCorA4rqk+sxrIly1BcVYzM3Ex8vvxz7N20FwVlyf/3Z0t5+ORtKUvYCnvphhsghEDp3XfDcuut+MPq1bjy5JOhHlNrKBLBwsWLIYTAs4OcnKVpGkKRCP5wxRWYM3EiTquuxiuLFmFXQwNW79gRz19n+Pj+61N1eSGWPXcv3nz6Hlwz92zc+dsXsKv2CADgd8+/hQ6PF//z29vx9h//AzcuOB+3/moxtu89rHPVMpPveDBUNzx4AwQE7r74btx6xq1Y/epqnDznZChq8v+OioTH7WQjUbNLfjUuFz686y54AgF0+P0ozsrC5YsXozo/v/s2XYFc29KC9++4Y1CtZAAozsoCAEwoLu6+zpWRgXyns8fYNMnNbDJ2t3wnj63Axh378ee/v48fXT4Hf3nrA6xYcj/GVkZbzhNqyvHFpt148e0P8NDtV+tZtrRS6fOfq8yFuxbfhYAvAL/Hj6z8LCz++WLkl+b3/8OSU1Low5Ne5G0pq/KW5rBYUJyVhVaPB8u3bsW3v5qE1RXIuxoasOr225HndA76vmeOHg0A2FFX131di8eDJrcbFXl58fkF4iRVJt+MBE0IBENh+PzRpX7H9q6oqgoh4YoDShyLzYKs/Cx4OjzY+slWTDk7+SdzsqU8fPK2lCX84y7fsgVCCIwrKsLuhgb8bOlSnFBUhOtnzkQoEsGC557D2gMH8H9uvRURTUNdezsAINfh6B4LPtDSghaPBwdaWhDRNKw/eBAAMNrlgtNqxdjCQnx7yhT85G9/w+JrrkGm1Yqfv/EGTigqwrnjxun2u9PAPbrkDZxzykSUFOTC4w3grfc/x6cbduLFR36MmlFFqCwtwH889Vf8x00LkJPpxIp/rsfHa7fhz7++Ve/SpZVKkwq3fBI9jhRVFKHhYAOW/mEpiiqLMPOymXqXNmxsKQ+fImQdmf/gA2DnTr2r6OFva9bg52+8gUNtbci12zF/2jT8Zt48ZNls2N/UhKpvrEf+ptU//SnO+SpQr3vhBfzlk09i3qbD58Mdr72Gv69bB1VRcPaYMfj95ZejPDc3cb/cELgLbWh2+vQuQzr//viL+Oe67WhsaUeGw4YTqkrxoyvmYNb0CQCAfYfq8eiSN7Bm8254/AFUlBTgh9+7AN+94DSdK5eX32zGh3b5NhQaijUr1+CNp99AW0Mb7Jl2TDtvGubdOg825+CGumR0w0k3wKjK29ZLBvKG8r/+BWzerHcVFIM3z4rGbJ7YnBLPY7XiYytfazJTFRWLpi3Su4ykJ+/ArdmsdwXUDzUs5+c5Sj3hFJiZnOrMBh6z40HeULZY9K6A+qGGOTGJRkaImSw9hnJ8yBvKbClLz8BQphESYktZehYDG1LxIG8os6UsPTUY0bsEShNBZrL02FKOD3lDmS1l6SkCUCV+CVHqCKXU9iGpyWJkQyoe5D2isqWcFBjKNBKCCkNZdmwpx4e8R1S7Xe8KaAAYyjQSAgrnL8jOYXLoXUJKkPeIarMBMp0RiXqlavK+hCh1BCTdToG+lmHJ0LuElCD3EXUIe0fTyDJqnIFDiedGWO8SqB9OM4/X8SB3KGfwk5fsTFxASgkWNhoR4Ziy9DLMPF7HA0OZhsUY4FgfJVaAw1jSU6DAYeaYcjwwlGlYjH6uVabE8hvYGyM7h9kBVZE7TpKF3M8ix5SlZ/JxrI8Sy8PdvKTHruv4kTuU2VKWnqIJGCU+LTclP7fKIRLZceZ1/Mgdyjk5eldAA2AUDGVKnA5wiER2OVYeq+NF7lA2mYDMTL2roH6YwuxepARRgE4lpHcV1I88e57eJaQMuUMZAPLz9a6A+mHksihKkJDRCHZeyy/fzuN0vMgfynn8BCY7E2dgU4L4uBxKenaTHVajVe8yUgZDmYbN0snuRUqMDqP8h6h0x1ZyfMn/imcoS08NazAJk95lUApqVrnkTnZ5Nh6j40n+UHY4ACu7RmRnibCbkeJMAZo4yUt6nOQVX/KHMsDJXknA4uPexBRfAZMZYfB1JTt2X8dXcoRyUZHeFVA/zB5O9qL46jQZ9C6B+mE32ZFp4bLVeEqOUC4p0bsC6ofZE4KaJC8nSg5tzGTplWTw2BxvyXEULSgAuDRCembNrHcJlEIaVY4ny67YWax3CSknOUJZVYHCQr2roH5YQsnxciL5RQwGdIAzr2XHlnL8Jc9RlF3Y0rNwXJnixGPmEjvZOUwOZFmz9C4j5TCUKW6sbQGOK1NcNHK0SnpsJSdG8hxBXa7oCSpIWooArBxXpjg4YuB4suwYyomRPKGsqkAxJxXIzubhySloePxmM7w8XaP0GMqJkTyhDAAVFXpXQP2wtQX1LoGSXIuFfdeyy7XlIsOSoXcZKSm5QrmyElDYEpOZIRiBRbALm4buqIGzrmVXlV2ldwkpK7lC2Wbj0qgkYPNz1wcamrDBgCawt0V2VTkM5URJrlAGgCq+GGRn6+B4IA1Nu4W9LLLLsmQh15ardxkpi6FMcWd2B2EAxwVp8BpMPAGF7NhKTqzkC2Wnk2eNSgL2EFs8NDhCVXFECehdBvWjMrtS7xJSWvKFMsDWchJwtnKyDg1Oq83CUzVKzml2osBRoHcZKS05Q7mmRu8KqB/mziBMYGuZBu6gSdO7BOpHdU613iWkvOQM5cxMbiSSBJxejivTwIRMJtSBXdeyG5c3Tu8SUl5yhjIAnHCC3hVQPxxNfnBVOQ1Eg5Vb6Mqu0FGIHFuO3mWkvOQN5epqwMzuUZkZQhpsmlXvMigJ7FPZSpbdCflsCI2E5A1lgwEYM0bvKqgfjg69KyDZeaxWeBSubZeZSTWhJpdzeUZC8oYywC7sJGBr8cMA7vBFfTti4SCH7Gpya2BUOUdkJCR3KOflcc2y5BQBOIIWvcsgSWmqilr49S6D+sGu65GT3KEMsLWcBJzNPDcu9a7ZbkVE4dpkmeXacrk2eQQlfyiPHQtYOZlIZiZvCPYI/0Z0DAXYaeTJJ2Q3uWCy3iWkleQPZaMRmDBB7yqoH5kt3BiCemq12+AGd36TmcPkwJg8TqgdSckfygAwaVI0nElalo4grIJjy/S13SYGsuwmF06GqqRGTCSL1Hi2rVZgHHeakV1mG2fZUpTbZkULONdAZmaDGePzx+tdRtpJjVAGgBNPBNTU+XVSka3Fz/2wCQCw18zJXbKb4JoAk4E7rY201EmxjIzoLl8ktcxOrllOd36LGUd5ikapGRQDJ3jpJHVCGQCmTNG7AuqHo9EHIzj+n872W1PrsJOKxuaNhc1k07uMtJRa7468PKCiQu8qKAZFABledmGnq6DJhAPcLERqqqJiShEbOHpJrVAGgJNPBhROKJJZRj1by+lqr90Awben1E7IPwGZlky9y0hbqRfKublADTdOl5miCWR3cAJJuvFZLKhV2EqWmVE1YlrxNL3LSGupF8oAMGMGZ2JLztHog0WwGzudbLdxxrXsJhVMgt1k17uMtJaayZWZyV2+kkB2M/sx00W73YYGcEtNmVmNVkwtmqp3GWkvNUMZAKZPB8xsicnM2h6AXeOe2KlOKAq2mLhRiOymF0+H2cBjpt5SN5QtFmAax0Zkl10fAdvLqa3RYUOnwi01ZZZlycJ4F3fvkkHqhjIATJwIZGXpXQXFYPKG4AxxPWSq0lQVWw2c3CW708tP5x7Xkkjtv4LBAMyapXcV1I+sowGoKf5STFeHHFYEFJ4hTGZV2VUYlTVK7zLoK6l/JCwpAcbw1GMyM4Q0ZHt4BqlUEzCbscPg1bsMisFsMGPmqJl6l0HfkPqhDACnnx49kxRJy1nng4WndkwpW2wA28hyO7nkZC6Bkkx6hLLVCpx6qt5VUAwKgNwGjZO+UkSj045GhUugZFbgKMAEF5eOyiY9QhmInm+5uFjvKigGszuEzAA/tSe7sNGITQaf3mVQDKqiYtaoWVC4JbF00ieUgeikL+70JbWsw16YwC04k9l2hxEhhbt3yWxSwSTk2fP0LoN6kV4JlZ0d3YKTpKUIIK9RYTd2kmpx2HCY+1tLLcuShRklPA7KKr1CGYiec5nd2FKzdATZjZ2EwkYj1hsZyDJTFRWzq2fDqPIsbbJKv1BWFODcc6M7fpG0ot3Y3PIvmbDbWn4nl5yMfHu+3mVQDOkXygDgdHJTEckpAnAdFWBHdnKod9rZbS25kowSTCmaoncZ1I/0DGUAqK6OzsgmaZm8IeR1cH257LwWCzZwkxCpWY1WnFt5rt5l0ACkbygDwMyZ3Btbco5GHzK4N7a0IgYDvrSFIdihIbWzKs6Cw+zQuwwagPQOZaMROO88LpOSXM4hP8wcX5bSVqcRXkT0LoNiGJ8/HpXZlXqXQQPENHK5gDPP1LsKikHRBPKPaDxphWSOZNhxRAnoXQbFUOAowBnlZ+hdBg0Cj3IAcMIJwARuNyczky+MvDa2lmXhtlqxiePIUrOb7Liw5kIYVIPepdAgMJS7nHEG1y9Lzt7sR2aQ65f1FjYY8aWV+1rLzKAYcGHNhTzZRBJiKHdRVeCCC6LLpUha2Ye8sArOyNaLUBVsdKrw8/xPUptVMQsFjgK9y6AhYCh/k9UKzJkTnQBGUlIE4DoQ5MYiOtmeYeHZnyQ3uWAyxuaN1bsMGiKG8rHy8oBzztG7CopBDWsoOBSBAfzwNJL2Z9pwgBuESK00oxSnlZ2mdxk0DAzl3lRX8/zLkjMGIiioVzgje4TUO+3YofJ0jDLLs+XhgpoLeDrGJMcjWl+mTIleSFpmdwiuZhM34kywNrsN642caS2zTEsmLh5zMcwGDuskO4ZyLKeeyq04JWdtCyC3kzt+JYrXasEXZraQZWY32XHpmEs50zpFMJT7c9ZZQGWl3lVQDM4GH7J9PCDFW8BsxmfWEOdZS8xisOCSMZcgw5KhdykUJwzl/igKMHs2UFKidyUUQ9YRL9cwx1HIZMQXtgiCjGRpGVUjLhp9EXJtuXqXQnHEUB4IgyG6VMrl0rsSiiHnIIM5HkImEz6zC3gU7mktK1VRcUH1BSh0FupdCsUZQ3mgTCbgkksYzJJjMA9P0GTCpw6NgSwxg2LABdUXoDyrXO9SKAEUIYTQu4ikEgwC//gHUFendyUUQ1uZHe0WzhgejKDJhE/tGnwMZGkZVSMurLkQZZllepdCCcJQHopwGFi+HDh8WO9KKIb2UjvarAzmgQiYzfjUHub2mRIzqSZcPOZiFDmL9C6FEoihPFSRCLByJXDggN6VUAztJXa02RjMsTCQ5WcxWHDxmIu5n3UaYCgPh6YB778P7N2rdyUUQ0eJHa0M5l4FzGZ8YgsjoDCQZWU1WnHpmEuRZ8/TuxQaAQzl4RIC+OgjYMcOvSuhGNwFNrRk+MAX+9fcNis+NwcQUvisyMppduKSMZcg25qtdyk0QhjK8bJ+PfD553pXQTH4syxoyg8jAk5kanDYsN7og+AepdIqcBTwnMhpiKEcT/v2AatXRyeCkZRCNiMaSxSEENK7FN3sz7Tx5BKSq86pxrmV58KgGvQuhUYYQznempqiS6a8HMOUVcSkoqncBL8S0LuUEaWpKrZmmHGYp1+U2rTiaZhRMkPvMkgnDOVE8HiiS6aamvSuhPogFKBllA1uY3q0GMNGI9Y6FLQq6dtDIDuDYsBZFWdhTN4YvUshHTGUEyUcjs7M3r9f70oohnSYme23mPG5NcJNQSRmM9pwQc0FXINMDOWE27gxOgFM45ITWflyrGjODaXkBLBGpx3rjV6uQJZYSUYJzqs6jxO6CABDeWQ0NADvvQd0dupdCfUhYjagqdQEv5oa460RgwE7nSYc4PixtBQomFY8DdOKp0FROA2eohjKIyUYBD74gN3Zkuv4agewZH5TeC0WrLWGeVIJidlNdpxXdR5KMnhKWOqJoTzSNm8GPvssuk0nSSmQaUaTS0MYybe07WiGHZtUL9cfS6wsswznVp4Lm8mmdykkIYayHpqaopPA2tr0roT6oBlVNJdZ4DUkx+zssMGIrU4DjqbZMq9koioqZpTMwNSiqXqXQhJjKOslEgG++ALYtCm6VSdJyV1oQ6szAE3iqVLtdhvWmwM8oYTE8u35OKfyHOTacvUuhSTHUNZbfT3w4YdsNUssYjGgpdgsXas5bDRip8OIg5zMJS1VUTGteBqmFk2Fqqh6l0NJgKEsg0gEWLcuun82l05Jy5drRUtOWIqx5ganHZuMPoSTekpaait0FOKsirOQY8vRuxRKIgxlmbS0RM841dCgdyXUB01V0F5qQ4dZnw1H/GYzttiBJgR1eXzqn9lgximlp2CCa4LepVASYijLRghg587oeDP3z5ZW0GlGcwEQVEYmHIWq4oDTih0KZ1bLSoGCsXljcXLpydwIhIaMoSyrUAjYsCG6IxjPOiUlAcBdZEO7I5jQ3cDa7TZsMgW57lhiJRklOK3sNOTb8/UuhZIcQ1l2bnd0m87du/WuhPqgGRR0FNvQafHHdZa222rBDqtgV7XEMi2ZOK3sNFRmV+pdCqUIhnKyaGgAPvkkOlubpBQxqWgvssBt9kMMYwKW32LGLquCI1xzLC2zwYzpxdMxsWAiZ1VTXDGUk82BA8DatZwMJrGw1Yi2QhM8gzwtZNBkwl67AbVc4iQti8GCSQWTMKlgEixGi97lUApiKCerQ4eiy6iOHtW7EupD0GFCe4EB3n5OchE2GlHrMGEPfJzEJSmr0YoTC0/ERNdEmAwmvcuhFMZQTnZHj0ZbzocP610J9SHoNKEjzwiv0dejUztgNuOg1YB9qo97cUnKbrLjxMITMcE1AUbVqHc5lAYYyqmioSE6W3v/fm7bKamwxYDOQgsaMhXsNkdwmN3U0sq2ZmNSwSSMyxsHg2rQuxxKIwzlVOPxANu2Adu3c52zTIxGYMwYYNIkhDKd2Nm8E1sat6DN36Z3ZfQVVVFRkVWBCa4JKM0s1bscSlMM5VSladFW89atwJEjeleTvnJzgbFjgXHjAMvxE4MOdRzCtsZtqG2vhSbYia0Hu8mO8fnjMd41npt+kO4YyumgrS0aznv2AD65TqqQkqxWYPToaBjnD2wziUA4gD2te7CzeScaPJxZn2iqoqIkowTj88ejIruCy5pIGgzldCJEtNW8Z0+0Fe3nmGbcGAzAqFHRIC4vB9ShH+Tb/e3Y2bwTu1p2wR10x7HI9KZAQXFGMWpyalCVUwWr0ap3SUTHYSinK02LztjuCuggd40aNKMRKCsDKiqAyspeu6eH62jnUexv24/a9lp0BDrifv/poNBRiJrcGlTnVLN7mqTHUKboqSMPH46ufT50iOd2jsXpjLaIKyqAkpJoC3mEtPnbUNtWi9r2WtS764e1a1gqMxvMKMkoQVlmGUZljYLT7NS7JKIBYyjT8dzurwP68GEgkMbbPRqNQEFBNIArKoC8PL0rAgD4w34cbD+Igx0HUeeuS+tubgUKXA4XyjLLUJZZhgJHAceIKWkxlCk2IYDGxugmJY2N0Utnp95VJY7NBhQVRS+FhdGJWsMYHx4p7qAbde461LvrUeeuQ4uvJWVb0ibVhHx7PlwOFwodhSjNLIXZYNa7LKK4YCjT4Pn90c1KukK6oSE5J43Z7UBOTnTZUl5eNISzsvSuKi6CkSDq3fVo9DaixdeCVl8r2gPtSbfsSlVU5Nny4HK4UOAogMvuQrY1G4rC/UgpNTGUKT58PqC9/etLR8fX/9fzfNAGA+BwRMeCc3K+DuGcnIRMzJKZJjS0+9vR6m/tEdTekBf+sH4fqhQocJqdyLJmIdOSiSxLFrKsWciyZCHDksGuaEorDGVKPK83Ok7t9UbDu+sSCEQvfj8QCkVnhAsR/ffYCwCYTNEx3mP/NRoBszkavt+82O3RNcPUr4gWgSfkgSfogSfkgTfkhSfogS/sQ1gLI6yFEYqEENJCPb6OiAhURe3zYlAMsBgtsBgssBgtsBqtsBltsJlssJvssJvsyDBncCtLoq8wlImIiCTBfiEiIiJJMJSJiIgkwVAmIiKSBEOZiIhIEgxlIiIiSTCUiYiIJMFQJiIikgRDmYiISBIMZSIiIkkwlImIiCTBUCYiIpIEQ5mIiEgSDGUiIiJJMJR1tn//fiiKghdeeGFEH1dRFDzwwAMj+phEsuD7Lr188MEHUBQFr7/+ut6l9CslQ/mFF16AoijdF6vVirFjx+K2225DfX19XB/roYcewptvvhnX+0xG1113HZxO53HXb9y4Efn5+aisrMT+/ft7fO+dd97B3LlzUVhYCLPZjNzcXJx11ll44okn0NHRMUKVU7zwfTfyrrvuuh7PudPpRHV1NRYsWIClS5dC6zoXuY4qKyuhKArOP//8Xr//3//93931r1mzZoSrO95QntNzzjmnx8+YzWZUVVXhhz/8IQ4ePDioxzfG6xeR0YMPPoiqqir4/X58/PHHePbZZ7Fs2TJs3rwZdrs9Lo/x0EMPYcGCBZg3b96Qfr6iogI+nw8mkyku9QyUz+eD0ZjYP//mzZsxe/ZsOBwOrF69GpWVlQAATdNw44034oUXXsDkyZNxyy23oLy8HJ2dnfjkk09w7733YtmyZXjvvfcSWh8lBt93fUvE+85isWDJkiXd919bW4t33nkHCxYswDnnnIO33noLmZmZcX3MwbJarVi9ejXq6upQVFTU43v/8z//A6vVCr/fr1N1xxvKc1pWVoaHH34YABAMBrF161b86U9/wvLly7Ft27aBv/ZFCnr++ecFAPHFF1/0uP6nP/2pACBefvnlPn/W7XYP6rEcDoe49tprh1JmSrn22muFw+Ho/nrz5s3C5XKJ8vJysWfPnh63ffjhhwUAcccddwhN0467ryNHjohHHnkk4TVTfPF9N/KOfd99U9f7bOHChTHvQ9M04fV6E1GeEEKIiooKMXv2bJGZmSmeeuqpHt87ePCgUFVVzJ8/v9fXTrysXr1aABCvvfZav7cdynN69tlni4kTJx53+6effloAECtWrBhwrSnZfd2X8847DwCwb98+AF93ue7ZsweXXHIJMjIycPXVVwMAPB4P7rzzTpSXl8NisWDcuHF4/PHHIYTovj9FUeDxePCXv/ylu9viuuuu6/7+4cOHccMNN6CwsBAWiwUTJ07En//85x419Ta21VXX4cOHMW/ePDidTrhcLtx1112IRCI9fv7VV1/F9OnTkZGRgczMTEyePBm///3v+30ujh3beuCBB6AoCnbv3o3rrrsO2dnZyMrKwvXXXw+v1zug57fLtm3bMHv2bFgsFqxevRrV1dXd3/N6vXj00UcxceJEPPbYY1AU5bifLy4uxt133z2oxyR58X33tUS+7451zz334MILL8Rrr72GnTt3dl9fWVmJb33rW1i+fDlmzJgBm82G5557LuY4e29j4R988AFmzJgBq9WKmpoaPPfcc92/z7GsViu++93v4uWXX+5x/SuvvIKcnBzMmTOn199h+/btWLBgAXJzc2G1WjFjxgy8/fbbx92ura0Nd9xxByorK2GxWFBWVobvf//7aGpq6nE7TdPwm9/8BmVlZbBarZg9ezZ2797d11N4nL6e07509QoMpnckpbuvj7Vnzx4AQF5eXvd14XAYc+bMwZlnnonHH38cdrsdQghcdtllWL16NW688UZMnToVy5cvx89+9jMcPnwYTz75JADgpZdewqJFi3DKKafghz/8IQCgpqYGAFBfX4/TTjsNiqLgtttug8vlwrvvvosbb7wRHR0duP3222PWGolEMGfOHJx66ql4/PHHsWrVKjzxxBOoqanBzTffDABYuXIlrrzySsyePRuPPvoogGgg/vOf/8RPfvKTIT1HCxcuRFVVFR5++GGsXbsWS5YsQUFBQff992fHjh0477zzYDQasXr16u7no8vHH3+MtrY23HXXXTAYDEOqkZIL33f9G+77ri//9m//hhUrVmDlypUYO3Zs9/U7duzAlVdeiZtuugk/+MEPMG7cuEHd77p163DRRRehuLgY//mf/4lIJIIHH3wQLperz5+56qqrcOGFF2LPnj3df6+XX34ZCxYs6HUYYcuWLZg5cyZKS0txzz33wOFw4G9/+xvmzZuHpUuX4jvf+Q4AwO12Y9asWdi2bRtuuOEGTJs2DU1NTXj77bdx6NAh5Ofnd9/nI488AlVVcdddd6G9vR2//e1vcfXVV+Ozzz4b8O/e13MaiUS6PwSEQiFs27YN999/P0aPHo2ZM2cO+P5Tuvt61apVorGxURw8eFC8+uqrIi8vT9hsNnHo0CEhRLSbAoC45557evz8m2++KQCIX//61z2uX7BggVAURezevbv7ur660W688UZRXFwsmpqaelx/xRVXiKysrO7uon379gkA4vnnn+++TVddDz74YI+fPemkk8T06dO7v/7JT34iMjMzRTgcHviT8xUA4v777+/++v777xcAxA033NDjdt/5zndEXl5ev/d37bXXCpPJJIqLi0VJSYnYuXNnr7f7/e9/LwCIN998s8f14XBYNDY29rj01rVN8uL7rn+JeN/11dUqhBDr1q3rHirqUlFRIQCIf/zjHz1u29tz0lfdc+fOFXa7XRw+fLj7ul27dgmj0SiOjZWKigpx6aWXinA4LIqKisSvfvUrIYQQW7duFQDEhx9+2OvQx+zZs8XkyZOF3+/vvk7TNHHGGWeIMWPGdF/3y1/+UgAQf//734+ru+sY0tV9PX78eBEIBLq/33U82rRpU/d1Q3lOzz77bAHguMv48ePF3r17+7yv3qR09/X5558Pl8uF8vJyXHHFFXA6nXjjjTdQWlra43Zdn4C7LFu2DAaDAT/+8Y97XH/nnXdCCIF333035uMKIbB06VLMnTsXQgg0NTV1X+bMmYP29nasXbu23/p/9KMf9fh61qxZ2Lt3b/fX2dnZ8Hg8WLlyZb/3NVC9PWZzc/OAZkN3fVLMzc3t8en0m7ru59iZ2ps2bYLL5epxaW5uHuJvQXri+27whvO+i6XrfdbZ2dnj+qqqqj67jPsTiUSwatUqzJs3DyUlJd3Xjx49GhdffHGfP2cwGLBw4UK88sorAKITvMrLyzFr1qzjbtvS0oL3338fCxcuRGdnZ/ffsbm5GXPmzMGuXbtw+PBhAMDSpUsxZcqU7pbzNx3blX799dfDbDZ3f9312N/8+/anr+e0srISK1euxMqVK/Huu+/iqaeeQnt7Oy6++GI0NjYO+P5Tuvv6mWeewdixY2E0GlFYWIhx48ZBVXt+DjEajSgrK+txXW1tLUpKSpCRkdHj+vHjx3d/P5bGxka0tbVh8eLFWLx4ca+3aWhoiHkfVqv1uK6gnJwctLa2dn99yy234G9/+xsuvvhilJaW4sILL8TChQtx0UUXxbzvWEaNGnXcYwJAa2trvzM4bTYblixZgquvvhqXXnopVq5cCYfD0eM2Xc+p2+3ucf3o0aO7D3IvvvgiXnrppSH/DqQvvu8Gbzjvu1i63mfHPqdVVVVDvs+Ghgb4fD6MHj36uO/1dt03XXXVVfjDH/6ADRs24OWXX8YVV1zR6xj07t27IYTAfffdh/vuu6/POkpLS7Fnzx7Mnz9/QLXHep4Hqq/n1OFw9Fj2ddFFF+HMM8/EjBkz8Mgjj+CJJ54Y0P2ndCifcsopmDFjRszbWCyW4w4Yw9W1ju2aa67Btdde2+ttTjzxxJj3MZDx1oKCAqxfvx7Lly/Hu+++i3fffRfPP/88vv/97+Mvf/nL4AuP8bjiGxNtYrniiivQ2tqKW265Bd/97nfxzjvv9PhkesIJJwCILpf69re/3X290+nsfkF//PHHQ6qd5MD33eAN933Xl82bNwM4PixtNttxt+0tHAEcN8ltOE499VTU1NTg9ttvx759+3DVVVf1eruuv+Vdd93VZ4u+vw8AvYnH89zXc9qb6dOnIysrCx999NGA7z+lQ3moKioqsGrVKnR2dvb4NLR9+/bu73fp7YXscrmQkZGBSCTS54L5eDGbzZg7dy7mzp0LTdNwyy234LnnnsN99903pBdtPNx8881oaWnBvffei2uuuQavvvpq9wF41qxZyMrKwquvvoqf//zncT8wU/Li+y7+XnrpJSiKggsuuKDf23a1Gtva2npcf2wPRUFBAaxWa6+zlgcyk/nKK6/Er3/9a4wfPx5Tp07t9TZdKzZMJlO/f8uampruoBwJg3lOgeiHmmN7BmPhEbEXl1xyCSKRCJ5++uke1z/55JNQFKXHuInD4TjuRWwwGDB//nwsXbq01xfLYMYXYjl2zFVV1e6WQCAQiMtjDNUvfvEL3HHHHXjttddw0003dV9vt9vx7//+79i8eTPuueeeXj+hDrd1QMmJ77v4euSRR7BixQpcfvnlGDNmTL+3z8zMRH5+/nGtuj/+8Y89vjYYDDj//PPx5ptv4siRI93X7969u99xfwBYtGgR7r///pjduQUFBTjnnHPw3HPP4ejRo8d9/5t/y/nz52PDhg144403jrtdvI8lg31OV69eDbfbjSlTpgz4MdhS7sXcuXNx7rnn4he/+AX279+PKVOmYMWKFXjrrbdw++2391jmM336dKxatQq/+93vUFJSgqqqKpx66ql45JFHsHr1apx66qn4wQ9+gAkTJqClpQVr167FqlWr0NLSMuw6Fy1ahJaWFpx33nkoKytDbW0t/uu//gtTp07tHofT0xNPPIHW1lYsWbIEubm53cs77rnnHmzbtg2PPfYYVqxYgfnz56OsrAytra1Yu3YtXnvtte5P45Q++L4bmnA4jL/+9a8AAL/fj9raWrz99tvYuHEjzj333D7H13uzaNEiPPLII1i0aBFmzJiBjz76qNf1uA888ABWrFiBmTNn4uabb+7+MDVp0iSsX78+5mNUVFQMaP/vZ555BmeeeSYmT56MH/zgB6iurkZ9fT0++eQTHDp0CBs2bAAA/OxnP8Prr7+O733ve7jhhhswffp0tLS04O2338af/vSnQQVil6E8p+3t7d0/Ew6HsWPHDjz77LOw2Wy45557Bv7gg5qrnST62lnoWLGmvnd2doo77rhDlJSUCJPJJMaMGSMee+yx45bpbN++XZx11lnCZrMJAD2WadTX14tbb71VlJeXC5PJJIqKisTs2bPF4sWLu2/T19KM3urqWj7R5fXXXxcXXnihKCgoEGazWYwaNUrcdNNN4ujRozF/byH6XprR2NjY43Zdz+W+ffti3l9fNYfDYTFv3jwBQDz88MM9vvfGG2+ISy65RLhcLmE0GkV2drY488wzxWOPPSba2tr6/R1ILnzf6fO+wzeW4NjtdlFZWSnmz58vXn/9dRGJRI77ma4lSr3xer3ixhtvFFlZWSIjI0MsXLhQNDQ0HFe3EEK899574qSTThJms1nU1NSIJUuWiDvvvFNYrdYBP96xv++xr509e/aI73//+6KoqEiYTCZRWloqvvWtb4nXX3+9x+2am5vFbbfdJkpLS4XZbBZlZWXi2muv7V4a19eOXrGWxg3mOT12SZSiKCI3N1dcdtll4ssvv4z5ux9LEYJ9hURENHzz5s3Dli1bsGvXLr1LSVocUyYiokHz+Xw9vt61axeWLVuGc845R5+CUgRbykRENGjFxcW47rrrUF1djdraWjz77LMIBAJYt27dgCZBUe840YuIiAbtoosuwiuvvIK6ujpYLBacfvrpeOihhxjIw8SWMhERkSQ4pkxERCQJhjIREZEkGMpERESSYCgTERFJgqFMREQkCYYyERGRJBjKREREkmAoExERSeL/B4dFhmWS53GiAAAAAElFTkSuQmCC",
      "text/plain": [
       "<Figure size 750x350 with 1 Axes>"
      ]
     },
     "metadata": {},
     "output_type": "display_data"
    }
   ],
   "source": [
    "venn2_unweighted(\n",
    "    [prots_in_kg, set(dmdb_prot_mappings.values())],\n",
    "    set_labels=['Proteins in KG', 'Proteins in DrugMechDB']\n",
    ")"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "3bed9db5",
   "metadata": {},
   "source": [
    "Which one is not in the KG?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 60,
   "id": "bffdb2e5",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "{None,\n",
       " 'ncbigene:155348',\n",
       " 'ncbigene:3920380',\n",
       " 'ncbigene:45020152',\n",
       " 'ncbigene:67415314',\n",
       " 'ncbigene:67460217',\n",
       " 'ncbigene:67463992',\n",
       " 'ncbigene:887065',\n",
       " 'ncbigene:888177'}"
      ]
     },
     "execution_count": 60,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "set(dmdb_prot_mappings.values()) - prots_in_kg"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "6d7baa67",
   "metadata": {},
   "source": [
    "It's [Gag-Pol / Human immunodeficiency virus 1 ](https://www.ncbi.nlm.nih.gov/gene/?term=155348). Makes sense as it is actually a viral protein. How many BP paths is it involved in?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 61,
   "id": "e60ceb5a",
   "metadata": {},
   "outputs": [],
   "source": [
    "# TO BE FINISHED"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "20b18ec8",
   "metadata": {},
   "source": [
    "The DrugBank recorded targets:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 62,
   "id": "6a04cee1",
   "metadata": {},
   "outputs": [],
   "source": [
    "db_uniprot_mapping = pd.read_csv(osp.join(MAPPING_DIR, \"drugbank_all_target_uniprot_links.csv.zip\"))"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 63,
   "id": "39508ae4",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/html": [
       "<div>\n",
       "<style scoped>\n",
       "    .dataframe tbody tr th:only-of-type {\n",
       "        vertical-align: middle;\n",
       "    }\n",
       "\n",
       "    .dataframe tbody tr th {\n",
       "        vertical-align: top;\n",
       "    }\n",
       "\n",
       "    .dataframe thead th {\n",
       "        text-align: right;\n",
       "    }\n",
       "</style>\n",
       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
       "    <tr style=\"text-align: right;\">\n",
       "      <th></th>\n",
       "      <th>DrugBank ID</th>\n",
       "      <th>Name</th>\n",
       "      <th>Type</th>\n",
       "      <th>UniProt ID</th>\n",
       "      <th>UniProt Name</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>DB00001</td>\n",
       "      <td>Lepirudin</td>\n",
       "      <td>BiotechDrug</td>\n",
       "      <td>P00734</td>\n",
       "      <td>Prothrombin</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>DB00002</td>\n",
       "      <td>Cetuximab</td>\n",
       "      <td>BiotechDrug</td>\n",
       "      <td>P00533</td>\n",
       "      <td>Epidermal growth factor receptor</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>DB00002</td>\n",
       "      <td>Cetuximab</td>\n",
       "      <td>BiotechDrug</td>\n",
       "      <td>O75015</td>\n",
       "      <td>Low affinity immunoglobulin gamma Fc region re...</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>DB00002</td>\n",
       "      <td>Cetuximab</td>\n",
       "      <td>BiotechDrug</td>\n",
       "      <td>P02745</td>\n",
       "      <td>Complement C1q subcomponent subunit A</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>DB00002</td>\n",
       "      <td>Cetuximab</td>\n",
       "      <td>BiotechDrug</td>\n",
       "      <td>P02746</td>\n",
       "      <td>Complement C1q subcomponent subunit B</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "  DrugBank ID       Name         Type UniProt ID  \\\n",
       "0     DB00001  Lepirudin  BiotechDrug     P00734   \n",
       "1     DB00002  Cetuximab  BiotechDrug     P00533   \n",
       "2     DB00002  Cetuximab  BiotechDrug     O75015   \n",
       "3     DB00002  Cetuximab  BiotechDrug     P02745   \n",
       "4     DB00002  Cetuximab  BiotechDrug     P02746   \n",
       "\n",
       "                                        UniProt Name  \n",
       "0                                        Prothrombin  \n",
       "1                   Epidermal growth factor receptor  \n",
       "2  Low affinity immunoglobulin gamma Fc region re...  \n",
       "3              Complement C1q subcomponent subunit A  \n",
       "4              Complement C1q subcomponent subunit B  "
      ]
     },
     "execution_count": 63,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "db_uniprot_mapping.head()"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "42e12cce",
   "metadata": {},
   "source": [
    "## Metapaths\n",
    "\n",
    "Finally, let's explore the metapaths a bit.\n",
    "\n",
    "There are two sheets for metapaths. One is the original metapaths:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 64,
   "id": "c1efde37",
   "metadata": {},
   "outputs": [],
   "source": [
    "metapaths = pd.read_excel(dm_db, 'metapaths')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 65,
   "id": "ae60b398",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "\n",
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       "    }\n",
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       "    .dataframe thead th {\n",
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       "<table border=\"1\" class=\"dataframe\">\n",
       "  <thead>\n",
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       "      <th></th>\n",
       "      <th>n1</th>\n",
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       "      <th>e5</th>\n",
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       "      <th>e6</th>\n",
       "      <th>n7</th>\n",
       "      <th>e7</th>\n",
       "      <th>n8</th>\n",
       "    </tr>\n",
       "  </thead>\n",
       "  <tbody>\n",
       "    <tr>\n",
       "      <th>0</th>\n",
       "      <td>Drug</td>\n",
       "      <td>INHIBITS</td>\n",
       "      <td>Protein</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Disease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>1</th>\n",
       "      <td>Drug</td>\n",
       "      <td>INHIBITS</td>\n",
       "      <td>Protein</td>\n",
       "      <td>UP_REGULATES</td>\n",
       "      <td>Biological Process</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Disease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>Drug</td>\n",
       "      <td>INHIBITS</td>\n",
       "      <td>Protein</td>\n",
       "      <td>UP_REGULATES</td>\n",
       "      <td>Biological Process</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Disease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>3</th>\n",
       "      <td>Drug</td>\n",
       "      <td>INHIBITS</td>\n",
       "      <td>Pathway</td>\n",
       "      <td>ASSOCIATED_WITH</td>\n",
       "      <td>Disease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>Drug</td>\n",
       "      <td>INHIBITS</td>\n",
       "      <td>Protein</td>\n",
       "      <td>PRODUCES</td>\n",
       "      <td>Compound Class</td>\n",
       "      <td>CAUSES</td>\n",
       "      <td>Disease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "     n1        e1       n2               e2                  n3      e3  \\\n",
       "0  Drug  INHIBITS  Protein           CAUSES             Disease     NaN   \n",
       "1  Drug  INHIBITS  Protein     UP_REGULATES  Biological Process  CAUSES   \n",
       "2  Drug  INHIBITS  Protein     UP_REGULATES  Biological Process  CAUSES   \n",
       "3  Drug  INHIBITS  Pathway  ASSOCIATED_WITH             Disease     NaN   \n",
       "4  Drug  INHIBITS  Protein         PRODUCES      Compound Class  CAUSES   \n",
       "\n",
       "        n4   e4   n5   e5   n6   e6   n7   e7   n8  \n",
       "0      NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  \n",
       "1  Disease  NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  \n",
       "2  Disease  NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  \n",
       "3      NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  \n",
       "4  Disease  NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  "
      ]
     },
     "execution_count": 65,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "metapaths.head()"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "cddd5ddb",
   "metadata": {},
   "source": [
    "... and another is Biolink metapaths: \n",
    "\n",
    "`\"Version 1.1.0 includes a new tab 'metapaths_biolink' where the majority of node and edge types have been mapped to entities and relationship slots in the biolink model.\"`"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 66,
   "id": "629dc0cb",
   "metadata": {},
   "outputs": [],
   "source": [
    "metapaths_biolink = pd.read_excel(dm_db, 'metapaths_biolink')"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 67,
   "id": "e444e325",
   "metadata": {},
   "outputs": [
    {
     "data": {
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       "      <th>0</th>\n",
       "      <td>Drug</td>\n",
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       "      <td>Protein</td>\n",
       "      <td>causes</td>\n",
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       "      <td>BiologicalProcess</td>\n",
       "      <td>causes</td>\n",
       "      <td>Disease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>2</th>\n",
       "      <td>Drug</td>\n",
       "      <td>decreases activity of</td>\n",
       "      <td>Protein</td>\n",
       "      <td>positively regulates</td>\n",
       "      <td>BiologicalProcess</td>\n",
       "      <td>causes</td>\n",
       "      <td>Disease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
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       "      <th>3</th>\n",
       "      <td>Drug</td>\n",
       "      <td>negatively regulates</td>\n",
       "      <td>Pathway</td>\n",
       "      <td>affects risk for</td>\n",
       "      <td>Disease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "    <tr>\n",
       "      <th>4</th>\n",
       "      <td>Drug</td>\n",
       "      <td>decreases activity of</td>\n",
       "      <td>Protein</td>\n",
       "      <td>increases abundance of</td>\n",
       "      <td>NaN</td>\n",
       "      <td>causes</td>\n",
       "      <td>Disease</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "      <td>NaN</td>\n",
       "    </tr>\n",
       "  </tbody>\n",
       "</table>\n",
       "</div>"
      ],
      "text/plain": [
       "     n1                     e1       n2                      e2  \\\n",
       "0  Drug  decreases activity of  Protein                  causes   \n",
       "1  Drug  decreases activity of  Protein    positively regulates   \n",
       "2  Drug  decreases activity of  Protein    positively regulates   \n",
       "3  Drug   negatively regulates  Pathway        affects risk for   \n",
       "4  Drug  decreases activity of  Protein  increases abundance of   \n",
       "\n",
       "                  n3      e3       n4   e4   n5   e5   n6   e6   n7   e7   n8  \n",
       "0            Disease     NaN      NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  \n",
       "1  BiologicalProcess  causes  Disease  NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  \n",
       "2  BiologicalProcess  causes  Disease  NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  \n",
       "3            Disease     NaN      NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  \n",
       "4                NaN  causes  Disease  NaN  NaN  NaN  NaN  NaN  NaN  NaN  NaN  "
      ]
     },
     "execution_count": 67,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "metapaths_biolink.head()"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "6cd14fa3",
   "metadata": {},
   "source": [
    "I think we'll use the biolink-adjusted ones. How long are these metapaths, typically?"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 68,
   "id": "abb3ee05",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Counter({4.0: 55,\n",
       "         3.0: 33,\n",
       "         2.0: 13,\n",
       "         5.0: 7,\n",
       "         2.5: 5,\n",
       "         3.5: 4,\n",
       "         1.0: 3,\n",
       "         4.5: 1,\n",
       "         6.5: 1,\n",
       "         6.0: 1})"
      ]
     },
     "execution_count": 68,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Counter([(row.count() - 1) / 2 for i, row in metapaths_biolink.iterrows()])"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "0568087a",
   "metadata": {},
   "source": [
    "This is pretty weird, since some of the metapaths have NaN in them. Otherwise, we wouldn't be getting anything other than integers for the path lengths.\n",
    "\n",
    "What does NaN mean? Can it be any entity?\n",
    "\n",
    "Maybe this is a problem with converting everything to Biolink- let's try the original DF:"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 69,
   "id": "4e4e2d5d",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "123"
      ]
     },
     "execution_count": 69,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "len(metapaths)"
   ]
  },
  {
   "cell_type": "code",
   "execution_count": 70,
   "id": "6ebb11db",
   "metadata": {},
   "outputs": [
    {
     "data": {
      "text/plain": [
       "Counter({4.0: 59, 3.0: 38, 2.0: 13, 5.0: 8, 1.0: 3, 7.0: 1, 6.0: 1})"
      ]
     },
     "execution_count": 70,
     "metadata": {},
     "output_type": "execute_result"
    }
   ],
   "source": [
    "Counter([(row.count() - 1) / 2 for i, row in metapaths.iterrows()])"
   ]
  },
  {
   "attachments": {},
   "cell_type": "markdown",
   "id": "c098e3d9",
   "metadata": {},
   "source": [
    "For now, we aren't really using these metapaths, so I will conclude that exploration there."
   ]
  }
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