Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.67 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.67 |
| ▸ | CA1 | P00915 | 4/20 | 0.61 |
| ▸ | CA2 | P00918 | 4/20 | 0.61 |
| ▸ | CA4 | P22748 | 4/20 | 0.61 |
| ▸ | CA9 | Q16790 | 4/20 | 0.61 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.61 |
| ▸ | PTGES | O14684 | 1/20 | 0.61 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.61 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | PDE5A | O76074 | 1/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | CA3 | P07451 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL8637873 | 0.96 | PTGS2 (0.69) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8637124 | 0.94 | PTGS2 (0.64) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8765053 | 0.89 | PTGS2 (0.64) | PTGS2PTGS1CA1CA2CYP2C9 | |
| SCHEMBL8765208 | 0.89 | PTGS2 (0.60) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8609145 | 0.89 | PTGS2 (0.65) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8765525 | 0.89 | PTGS2 (0.64) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL8764369 | 0.89 | PTGS2 (0.64) | PTGS2PTGS1PDPK1CYP2C9 | |
| SCHEMBL6352064 | 0.89 | PTGS2 (0.83) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8765751 | 0.88 | PDPK1 (0.62) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8765119 | 0.88 | PTGS2 (0.66) | PTGS2PTGS1CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0731794-B1 | 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS | SEARLE & CO (US) | 1997-08-06 | — | — | EP | disclosed |
| US-5639777-A | 1,4,5-triphenyl pyrazolyl compounds for the treatment of inflammation and inflammation-related disorders | G.D. SEARLE & CO. (US) | 1997-06-17 | — | — | US | disclosed |
| EP-0731794-A1 | 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS | SEARLE & CO (US) | 1996-09-18 | — | — | EP | disclosed |
| WO-1995015317-A1 | 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | disclosed |