Data Sources

Databases and sources used in this project

Data Source Overview

Data Type	Source	Usage
AI Predictions	TxGNN	Drug-disease association prediction
Clinical Trials	ClinicalTrials.gov	Clinical evidence validation
Literature	PubMed	Research evidence validation
Drug Information	DrugBank	Pharmacology and mechanism data
Malaysia Approval	NPRA	Local market information
Drug Interactions	DDInter, GtoPdb	DDI information

TxGNN Model

Overview

TxGNN is a drug repurposing prediction model developed by Professor Marinka Zitnik’s team at Harvard Medical School.

Publication

Title: A foundation model for clinician-centered drug repurposing
Journal: Nature Medicine (2023)
DOI: 10.1038/s41591-023-02233-x

Data Scale

Item	Count
Nodes	17,080
Drugs	4,465
Diseases	2,870
Known Drug-Disease Relationships	14,573

Data Download

node.csv - Node data
kg.csv - Knowledge graph

ClinicalTrials.gov

Overview

The world’s largest clinical trial registry, maintained by the U.S. National Institutes of Health (NIH).

Website

https://clinicaltrials.gov/

Usage

Search drug name + disease name via API
Collect trial ID, phase, status, enrollment, etc.

Collected Fields

Field	Description
NCT Number	Unique trial identifier
Phase	Trial phase (Phase 1-4)
Status	Trial status
Enrollment	Number of participants
Conditions	Studied diseases
Interventions	Interventions (drugs)

PubMed

Overview

Biomedical literature database maintained by the U.S. National Library of Medicine (NLM).

Website

https://pubmed.ncbi.nlm.nih.gov/

Usage

Search via E-utilities API
Drug name + disease name as keywords

Collected Fields

Field	Description
PMID	PubMed unique identifier
Title	Article title
Year	Publication year
Journal	Journal name
Abstract	Abstract content
Publication Type	Literature type

DrugBank

Overview

Comprehensive drug database maintained by OMx Personal Health Analytics (Canada).

Website

https://go.drugbank.com/

Collected Fields

Field	Description
DrugBank ID	Drug unique identifier
Name	Drug name
Mechanism of Action	Mechanism of action
Pharmacodynamics	Pharmacodynamics
Indication	Approved indications

Malaysia NPRA

Overview

National Pharmaceutical Regulatory Agency (NPRA) of Malaysia, responsible for drug registration management.

Data Source

data.gov.my - Pharmaceutical Products

Collected Fields

Field	Description
Registration Number	Drug registration number
Product Name	Product name
Active Ingredients	Active ingredients
Dosage Form	Dosage form
Registration Status	Active/Cancelled

Drug-Drug Interactions (DDI)

DDInter 2.0

Website: https://ddinter2.scbdd.com/
Scale: 302,516 DDI records, 2,310 drugs
Usage: Drug-drug interaction information

Guide to PHARMACOLOGY (GtoPdb)

Website: https://www.guidetopharmacology.org/
Maintained by: IUPHAR/BPS
Usage: Approved drug interactions

Data Scale

Source	DDI Count	Update Date
DDInter	222,391 records	2026-02
GtoPdb	4,636 records	2026-02

Data Update Frequency

Data Type	Update Frequency
TxGNN Predictions	On model version update
Clinical Trials	On report generation
PubMed Literature	On report generation
NPRA Registry	Weekly
DDI Data	Quarterly recommended

Licensing and Citation

Please cite original data sources when using this project’s data.

TxGNN Citation

@article{huang2023txgnn,
  title={A foundation model for clinician-centered drug repurposing},
  author={Huang, Kexin and others},
  journal={Nature Medicine},
  year={2023},
  doi={10.1038/s41591-023-02233-x}
}

This Project Citation

@misc{mytxgnn2026,
  title={MyTxGNN: Malaysia Drug Repurposing Prediction Platform},
  url={https://mytxgnn.yao.care},
  year={2026}
}

NPRA Data Attribution

NPRA pharmaceutical product data is licensed under CC BY 4.0 by the Government of Malaysia via data.gov.my.

Disclaimer
All data is provided for research purposes only. While we strive for accuracy, users should verify critical information from primary sources.