Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.62 |
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | CA1 | P00915 | 6/20 | 0.47 |
| ▸ | CA2 | P00918 | 6/20 | 0.47 |
| ▸ | CA12 | O43570 | 4/20 | 0.47 |
| ▸ | CA4 | P22748 | 3/20 | 0.47 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 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 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7777909 | 0.91 | PTGS2 (0.61) | PTGS2PTGS1CA9CA1CA2 | |
| SCHEMBL7777899 | 0.91 | PTGS2 (0.73) | PTGS2PTGS1CA9CA1CA2 | |
| SCHEMBL7777642 | 0.91 | PTGS2 (0.62) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL7777546 | 0.90 | PTGS2 (0.60) | PTGS2PTGS1CA9CA1CA2 | |
| SCHEMBL7777567 | 0.90 | PTGS2 (0.60) | PTGS2PTGS1CA9CA1CA2 | |
| SCHEMBL7780762 | 0.90 | PTGS2 (0.60) | PTGS2PTGS1CA9CA1CA2 | |
| SCHEMBL7779588 | 0.89 | PTGS2 (0.59) | PTGS2PTGS1CA9CA1CA2 | |
| SCHEMBL7777897 | 0.89 | PTGS2 (0.59) | PTGS2PTGS1CA2PDPK1 | |
| SCHEMBL7777890 | 0.87 | PTGS2 (0.57) | PTGS2PTGS1CA9CA1CA2 | |
| SCHEMBL7779248 | 0.86 | PTGS2 (0.53) | PTGS2PTGS1CA9CA1CA2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0772597-B1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1127878-A1 | 3,4 - substituted pyrazoles for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2001-08-29 | — | — | EP | disclosed |
| US-6028072-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | disclosed |
| EP-0772597-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |
| US-5580985-A | ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION | G. D. SEARLE & CO. (US) | 1996-12-03 | — | — | US | disclosed |
| WO-1996003385-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | disclosed |
| US-5486534-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-01-23 | — | — | US | disclosed |