Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.51 |
| ▸ | CA1 | P00915 | 5/20 | 0.49 |
| ▸ | CA2 | P00918 | 5/20 | 0.49 |
| ▸ | CA12 | O43570 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8766312 | 0.87 | PTGS2 (0.51) | PTGS2PTGS1 | |
| SCHEMBL8764358 | 0.80 | PTGS2 (0.52) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL8953573 | 0.80 | CA2 (0.44) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL8953709 | 0.80 | CA1 (0.47) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL6182025 | 0.77 | PTGS2 (0.52) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL8606259 | 0.73 | PTGS2 (0.52) | PTGS2PTGS1 | |
| SCHEMBL8642614 | 0.73 | PTGS2 (0.38) | PTGS2PTGS1 | |
| SCHEMBL8765086 | 0.71 | PTGS2 (0.54) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL7090696 | 0.70 | CA2 (0.66) | PTGS2CA1CA2CA12CA9 | |
| SCHEMBL20931277 | 0.70 | MAPK1 (0.44) | MAPK1NPSR1LMNA |
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 |