Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.58 |
| ▸ | PTGS1 | P23219 | 13/20 | 0.58 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6983933 | 0.90 | PTGS2 (0.45) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6980452 | 0.84 | PTGS2 (0.58) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6980516 | 0.78 | PTGS2 (0.58) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6977045 | 0.74 | PTGS2 (0.58) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6983928 | 0.74 | PTGS2 (0.45) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6981936 | 0.74 | PTGS2 (0.58) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 | |
| SCHEMBL215341 | 0.74 | PTGS2 (1.00) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 | |
| SCHEMBL6352647 | 0.73 | PTGS2 (0.80) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL3249718 | 0.72 | PTGS2 (0.95) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 | |
| SCHEMBL6339195 | 0.72 | PTGS2 (0.90) | PTGS2PTGS1ABCB11ALDH1A1PDPK1 |
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-1006114-B1 | PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM | GRELAN PHARMACEUTICAL CO (JP) | 2003-01-22 | — | — | EP | disclosed |
| US-6136831-A | ANTIINFLAMMATORY AGENTS, GASTROINTESTINAL AGENTS, ENZYME INHIBITORS | GRELAN PHARMACEUTICAL CO., LTD. (JP) | 2000-10-24 | — | — | US | disclosed |
| EP-1006114-A1 | PYRAZOLE DERIVATIVES AND COX INHIBITORS CONTAINING THEM | Grelan Pharmaceutical Co., Ltd. (JP) | 2000-06-07 | — | — | EP | disclosed |