Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5203782 | 1.00 | PTGS2 (0.61) | PTGS2PTGS1CYP2C9CA1CA2 | |
| SCHEMBL5202692 | 0.90 | PTGS2 (0.67) | PTGS2PTGS1CYP2C9CA1CA2 | |
| SCHEMBL6887276 | 0.88 | PTGS2 (0.59) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL5202675 | 0.87 | PTGS2 (0.65) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL6885294 | 0.87 | PTGS2 (0.65) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL5201186 | 0.86 | PTGS2 (0.53) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL5205203 | 0.86 | PTGS2 (0.48) | PTGS2PTGS1 | |
| SCHEMBL14857230 | 0.86 | PTGS2 (0.53) | PTGS2PTGS1 | |
| SCHEMBL5865485 | 0.85 | PTGS2 (0.64) | PTGS2PTGS1CYP2C9CA1CA2 | |
| SCHEMBL1115042 | 0.84 | PTGS2 (0.47) | PTGS2PTGS1CA1CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6803380-B1 | NON-STEROIDAL ANTIINFLAMMATORY DRUGS | LABORATOIRE THERAMEX (MC) | 2004-10-12 | — | — | US | disclosed |
| EP-1246809-B1 | 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | THERAMEX (MC) | 2003-07-16 | — | — | EP | disclosed |
| EP-1246809-A1 | 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LABORATOIRE THERAMEX (MC) | 2002-10-09 | — | — | EP | disclosed |
| WO-2001034577-A1 | 5-ARYL-1H-1,2,4-TRIAZOLE COMPOUNDS AS INHIBITORS OF CYCLOOXYGENASE-2 AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | LABORATOIRE THERAMEX (MC) | 2001-05-17 | — | — | WO | disclosed |
| EP-1099695-A1 | 5-aryl-1H-1,2,4-triazole compounds as inhibitors of cyclooxygenase-2 and pharmaceutical compositions containing them | LABORATOIRE THERAMEX S.A. (MC) | 2001-05-16 | — | — | EP | disclosed |