Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 1.00 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.79 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.79 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.73 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.70 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8765387 | 0.95 | PTGS2 (0.90) | PTGS2PTGS1CYP2C9PDPK1ALOX5 | |
| SCHEMBL9260744 | 0.90 | PTGS2 (0.81) | PTGS2PTGS1CYP2C9PDPK1ALOX5 | |
| SCHEMBL9257388 | 0.90 | PTGS2 (0.81) | PTGS2PTGS1CYP2C9PDPK1ALOX5 | |
| SCHEMBL6957077 | 0.90 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9PDPK1ALOX5 | |
| SCHEMBL9088072 | 0.90 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL5229949 | 0.88 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9PDPK1ALOX5 | |
| Sc-58125 SCHEMBL214120 | 0.88 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9PDPK1ALOX5 | |
| SCHEMBL6378189 | 0.88 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9PDPK1ALOX5 | |
| SCHEMBL8953888 | 0.88 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9PDPK1ALOX5 | |
| SCHEMBL8954103 | 0.88 | PTGS2 (0.81) | PTGS2PTGS1CYP2C9PDPK1ALOX5 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0830133-A1 | THERAPEUTIC COMPOSITION FOR ARTHRITIS | Takeda Chemical Industries, Ltd. (JP) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996033717-A1 | THERAPEUTIC COMPOSITION FOR ARTHRITIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-31 | — | — | WO | disclosed |
| US-5475018-A | Antiinflammatory agent, antiarthritic agent; analgesics and antipyretics | G. D. SEARLE & CO. (US) | 1995-12-12 | — | — | US | disclosed |