Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | PDPK1 | O15530 | 8/20 | 0.53 |
| ▸ | PTGES | O14684 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | PDE5A | O76074 | 1/20 | 0.53 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.53 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6979114 | 0.92 | PTGS2 (0.63) | PTGS2PTGS1CYP2C9PDPK1PTGES | |
| SCHEMBL6976985 | 0.90 | PTGS2 (0.63) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL6976979 | 0.82 | PTGS2 (0.63) | PTGS2PTGS1CYP2C9 | |
| Mavacoxib SCHEMBL212699 | 0.78 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9PDPK1PTGES | |
| SCHEMBL3246379 | 0.78 | PTGS2 (1.00) | PTGS2PTGS1CYP2C9PDPK1PTGES | |
| SCHEMBL6981806 | 0.78 | PTGS2 (0.63) | PTGS2PTGS1CYP2C9PDPK1PTGES | |
| SCHEMBL6344250 | 0.77 | PTGS2 (0.77) | PTGS2PTGS1CYP2C9PDPK1PTGES | |
| SCHEMBL3245730 | 0.77 | PTGS2 (0.77) | PTGS2PTGS1CYP2C9PDPK1PTGES | |
| SCHEMBL6984048 | 0.76 | PTGS2 (0.63) | PTGS2PTGS1CYP2C9PDPK1PTGES | |
| SCHEMBL6981808 | 0.76 | PTGS2 (0.63) | PTGS2PTGS1CYP2C9PDPK1PTGES |
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 |