| name | drug-repurposing |
| description | Systematic drug repurposing analysis inspired by NovusAI. Evaluates existing drugs for new therapeutic indications through multi-dimensional evidence gathering across target networks, clinical trials (including failures), patent landscape, safety profiles, and off-label literature. Produces ranked repurposing candidates with evidence scores. Use when users ask about finding new uses for existing drugs, off-label potential, "老药新用", or "drug repurposing for X". Complements target-validation (which starts from a target) by starting from a drug. |
Drug Repurposing Pipeline
Systematically evaluate an existing drug for new therapeutic indications by mining evidence across six dimensions: pharmacology, target networks, clinical trials, literature, patents, and safety.
When to Use
- "帮我找 metformin 的新适应症"
- "Sorafenib 除了肝癌还能治什么"
- "Drug repurposing opportunities for thalidomide"
- "X 的老药新用潜力"
- Any query about finding new uses for existing drugs
Pipeline
Step 1: Drug Profile
Gather comprehensive drug information:
bash: echo "=== DrugBank ===" && \
curl -s "https://go.drugbank.com/unearth/q?searcher=drugs&query=DRUGNAME&button=" 2>/dev/null && \
echo -e "\n=== ChEMBL ===" && \
curl -s "https://www.ebi.ac.uk/chembl/api/data/molecule/search.json?q=DRUGNAME&limit=5" && \
echo -e "\n=== PubChem ===" && \
curl -s "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/DRUGNAME/JSON"
Extract:
- Approved indications and year of first approval
- Primary mechanism of action
- Known molecular targets (with confidence)
- Chemical class and properties (MW, logP, PSA)
- Half-life, bioavailability, metabolism pathway (CYP enzymes)
Step 2: Target Network Analysis
Map drug targets to disease associations:
bash: echo "=== STRING PPI Network ===" && \
curl -s "https://string-db.org/api/json/network?identifiers=TARGET_GENE&species=9606&required_score=700" && \
echo -e "\n=== OpenTargets Disease Associations ===" && \
curl -s -X POST "https://api.platform.opentargets.org/api/v4/graphql" \
-H "Content-Type: application/json" \
-d '{"query":"{ target(ensemblId:\"ENSG_ID\") { id approvedSymbol associatedDiseases(page:{size:20}) { rows { disease { id name } score datatypeScores { componentId score } } } } }"}'
Key analysis:
- Primary targets → known diseases (already approved)
- Secondary/off-targets → new disease candidates
- PPI network neighbors → diseases associated with interacting proteins
- Pathway enrichment → which disease pathways are modulated
Step 3: Clinical Evidence Mining
Search for ALL clinical activity of this drug, including off-label and failed trials:
bash: echo "=== ClinicalTrials.gov (all indications) ===" && \
curl -s "https://clinicaltrials.gov/api/v2/studies?query.term=DRUGNAME&pageSize=50&sort=LastUpdatePostDate:desc" && \
echo -e "\n=== PubMed (off-label + repurposing) ===" && \
curl -s "https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esearch.fcgi?db=pubmed&retmode=json&retmax=30&sort=relevance&term=DRUGNAME+AND+(repurpos*+OR+off-label+OR+repositioning+OR+novel+indication+OR+unexpected+effect)"
What to look for:
- Trials in non-approved indications (especially Phase 2+ with positive signals)
- Failed trials that revealed unexpected beneficial effects
- Case reports of off-label use with documented outcomes
- Systematic reviews of repurposing evidence
Step 4: Patent Landscape
bash: web_search "DRUGNAME patent expiry date generic availability"
Assess:
- Patent status: Active / Expired / Expiring soon
- Generic availability: Already available = lower barrier to repurposing
- New formulation patents: May protect specific delivery methods
- Method-of-use patents: Filed for new indications?
Patent scoring:
- Expired + generic available: 20/20 (immediate repurposing potential)
- Expiring within 3 years: 15/20
- Active but no method-of-use patent for new indication: 10/20
- Active with broad claims: 5/20
Step 5: Safety Profile
bash: echo "=== OpenFDA Adverse Events ===" && \
curl -s "https://api.fda.gov/drug/event.json?search=patient.drug.openfda.generic_name:%22DRUGNAME%22&count=patient.reaction.reactionmeddrapt.exact&limit=20" && \
echo -e "\n=== PubMed Safety ===" && \
curl -s "https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esearch.fcgi?db=pubmed&retmode=json&retmax=10&term=DRUGNAME+AND+(safety+OR+adverse+OR+toxicity)+AND+review"
Dual-use signal detection: Some adverse effects hint at therapeutic potential:
| Adverse Effect | Potential Therapeutic Use |
|---|
| Weight loss | Obesity / metabolic syndrome |
| Hypoglycemia | Type 2 diabetes (if not already indicated) |
| Immunosuppression | Autoimmune diseases |
| Anti-proliferative effects | Cancer |
| Sedation | Insomnia / anxiety |
| Hair growth | Alopecia |
Flag these "adverse effects as therapeutic signals" prominently.
Step 6: Repurposing Candidate Ranking
Score each candidate indication across four dimensions:
| Dimension | Max Score | Criteria |
|---|
| Target evidence | 30 | Direct target involvement in disease (OpenTargets score, genetic evidence, expression data) |
| Clinical evidence | 30 | Positive trials, case reports, off-label efficacy data |
| Safety | 20 | Known safety profile compatible with chronic use; no organ-specific toxicity conflict |
| Patent/feasibility | 20 | Patent expired, generic available, regulatory pathway clear |
Total score interpretation:
- ≥70: Strong candidate — proceed to clinical validation planning
- 50–69: Moderate candidate — needs more preclinical evidence
- 30–49: Weak candidate — interesting signal but insufficient evidence
- <30: Not recommended — speculative at best
Output Report Structure
# Drug Repurposing Analysis: [DRUGNAME]
## Executive Summary
- [Drug] is approved for [indication] since [year]
- Analysis identified [N] potential repurposing candidates
- Top candidate: [Disease] (score: XX/100, evidence: ...)
## 1. Drug Profile
[Mechanism, targets, pharmacology]
## 2. Target Network & New Disease Associations
[Network figure + disease mapping table]
## 3. Clinical Evidence
[Trial summaries, off-label reports, case studies]
## 4. Patent Landscape
[Patent status, generic availability, IP barriers]
## 5. Safety Profile
[AE summary + dual-use signal analysis]
## 6. Ranked Repurposing Candidates
| Rank | Indication | Target Evidence | Clinical Evidence | Safety | Patent | Total | Verdict |
|------|-----------|----------------|-------------------|--------|--------|-------|---------|
| 1 | [Disease A] | 25/30 | 20/30 | 18/20 | 20/20 | 83/100 | Strong |
| 2 | [Disease B] | 20/30 | 15/30 | 15/20 | 15/20 | 65/100 | Moderate |
| ... | ... | ... | ... | ... | ... | ... | ... |
## 7. Recommended Next Steps
[For each strong candidate: specific preclinical/clinical validation steps]
## References
[GB/T 7714 format]
Follow-up Suggestions
After completing the repurposing analysis, suggest:
- For the top candidate: "可以用 gene-landscape recipe 深入分析 [target] 在 [new disease] 中的角色"
- If clinical trials exist: "可以用 clinical-query recipe 详细了解 [new disease] 的现有治疗方案，评估竞争格局"
- If target validation needed: "可以用 target-validation recipe 全面评估 [target] 的成药性"
