DrugRepoBank Query Skill
Search four linked tables (Drug, Target, DrugTargetInteraction, Literature) for repurposing evidence. Auto-detects entity type by prefix:
| Input Pattern | Detected As | Example |
|---|---|---|
DB00945 | DrugBank ID | exact on DrugBank_ID / DrugID |
T47101 | TTD Target ID | exact on TargetID |
FGFR1_HUMAN | UniProt ID | exact on UniprotID |
CHEMBL2103749 | ChEMBL ID | exact on ChEMBL ID in Drug table |
16129704 (digits) | PubChem CID | exact on PubChem_Compound_ID / PubChemID |
| anything else | free text | substring on drug Name, TargetName, Disease, NewDisease |
API
| Function | Input | Returns |
|---|---|---|
load_all() | — | dict with keys drug, dti, lit, target (lists of row-dicts) |
search(tables, entity) | tables dict + single entity string | dict with keys entity, entity_type, drug, target, dti, literature |
search_batch(tables, entities) | tables dict + list of entity strings | dict[str, search_result] |
summarize(result) | single search() result | compact one-line LLM-readable text |
to_json(result) | single search() result | JSON string (trimmed heavy fields) |
Usage
See if __name__ == "__main__" block in 42_DrugRepoBank.py for runnable
examples covering: drug name, DrugBank ID, TTD target ID, UniProt ID, ChEMBL
ID, disease free-text, batch search, and JSON output.
Data
Four CSV tables in DATA_DIR:
| File | Key Columns | Description |
|---|---|---|
Drug.csv | DrugBank_ID, Name, Drug Groups, PubChem_Compound_ID, ChEMBL ID, SMILES | Drug identifiers & structures |
DrugTargetInteraction.csv | UniprotID, PubchemID, TargetID, DrugID, Highest_status, MOA | Drug–target links with mechanism of action |
Literature.csv | DrugName, DrugID, Target, Disease, NewDisease, Evidence, Insilico, Invitro, Invivo, Clinicaltrial, PMID | Repurposing evidence & literature references |
Targets.csv | TargetID, UniprotID, TargetName, TargetGeneName, TargetType, Function | Target annotations & pathway memberships |
- Path:
DATA_DIRvariable in42_DrugRepoBank.py
(resources_metadata/drug_repurposing/DrugRepoBank) - Source: https://awi.cuhk.edu.cn/DrugRepoBank/php/index.php
- Paper: Huang et al., Database 2024, baae051. DOI:10.1093/database/baae051


