Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 18/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7777700 | 0.92 | PTGS2 (0.74) | PTGS2PTGS1 | |
| SCHEMBL7778118 | 0.92 | PTGS2 (0.68) | PTGS2PTGS1 | |
| SCHEMBL7779944 | 0.91 | PTGS2 (0.61) | PTGS2PTGS1 | |
| SCHEMBL7777896 | 0.91 | PTGS2 (0.61) | PTGS2PTGS1 | |
| SCHEMBL7777978 | 0.91 | PTGS2 (0.62) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL7778072 | 0.91 | PTGS2 (0.61) | PTGS2PTGS1 | |
| SCHEMBL7779830 | 0.89 | PTGS2 (0.59) | PTGS2PTGS1 | |
| SCHEMBL7780788 | 0.89 | PTGS2 (0.59) | PTGS2PTGS1 | |
| SCHEMBL7779496 | 0.87 | PTGS2 (0.57) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL7780862 | 0.86 | PTGS2 (0.56) | PTGS2PTGS1 |
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 6 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 |
| US-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | US | disclosed |
| US-5580985-A | ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION | G. D. SEARLE & CO. (US) | 1996-12-03 | — | — | US | disclosed |
| US-5486534-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-01-23 | — | — | US | disclosed |