Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6979695 | 0.92 | PTGS2 (0.48) | PTGS2PTGS1ABCB11ALDH1A1AOC3 | |
| SCHEMBL6974226 | 0.91 | PTGS2 (0.53) | PTGS2PTGS1ALDH1A1CCNE1CDK2 | |
| SCHEMBL6982484 | 0.90 | PTGS2 (0.56) | PTGS2PTGS1ABCB11ALDH1A1CCNE1 | |
| SCHEMBL6980488 | 0.89 | PTGS2 (0.51) | PTGS2PTGS1CCNE1CDK2CDK5 | |
| SCHEMBL6978365 | 0.88 | PTGS2 (0.50) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6981308 | 0.87 | PTGS1 (0.54) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6982997 | 0.86 | PTGS2 (0.45) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL6974901 | 0.85 | PTGS2 (0.63) | PTGS2PTGS1 | |
| SCHEMBL6972090 | 0.82 | PTGS2 (0.66) | PTGS2PTGS1ABCB11ALDH1A1CCNE1 | |
| SCHEMBL6980897 | 0.82 | PTGS2 (0.56) | PTGS2PTGS1ABCB11ALDH1A1 |
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 |