Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA4 | P22748 | 4/20 | 0.48 |
| ▸ | CA9 | Q16790 | 4/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | PDE5A | O76074 | 1/20 | 0.47 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.47 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL8765875 | 0.97 | PTGS2 (0.56) | PTGS2PTGS1CYP2C9CA1CA2 | |
| SCHEMBL8765285 | 0.94 | PTGS2 (0.60) | PTGS2PTGS1CYP2C9CA1CA2 | |
| SCHEMBL8765086 | 0.93 | PTGS2 (0.54) | PTGS2PTGS1CA1CA2CA9 | |
| Dimethylamine SCHEMBL8765256 | 0.91 | PTGS2 (0.51) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL8765892 | 0.90 | PTGS2 (0.46) | PTGS2PTGS1CYP2C9ALOX5 | |
| SCHEMBL8764778 | 0.90 | PTGS2 (0.48) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL8637420 | 0.90 | PTGS2 (0.60) | PTGS2PTGS1CA1CA2CA4 | |
| SCHEMBL27459433 | 0.90 | PTGS2 (0.58) | PTGS2PTGS1CA1CA2CA9 | |
| SCHEMBL8765666 | 0.89 | PTGS2 (0.47) | PTGS2PTGS1CA1CA2PDPK1 | |
| SCHEMBL8764363 | 0.89 | CA2 (0.48) | PTGS2PTGS1CA1CA2CA4 |
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 |