Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 17/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 16/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7779745 | 0.93 | PTGS2 (0.49) | PTGS2PTGS1ABCB11ALDH1A1CDK2 | |
| SCHEMBL7779557 | 0.92 | PTGS2 (0.46) | PTGS2PTGS1PDE4APDE4BPDE4C | |
| SCHEMBL7780574 | 0.92 | PTGS2 (0.48) | PTGS2PTGS1ABCB11ALDH1A1CDK2 | |
| SCHEMBL7772827 | 0.90 | PTGS2 (0.46) | PTGS2PTGS1ABCB11ALDH1A1 | |
| SCHEMBL7780758 | 0.90 | PTGS2 (0.46) | PTGS2PTGS1ABCB11ALDH1A1CDK2 | |
| SCHEMBL7780644 | 0.90 | PTGS2 (0.53) | PTGS2PTGS1ABCB11ALDH1A1CDK2 | |
| SCHEMBL8632163 | 0.88 | PTGS2 (0.43) | PTGS2PTGS1PDE4APDE4BPDE4C | |
| SCHEMBL7779837 | 0.87 | PTGS2 (0.54) | PTGS2PTGS1ABCB11ALDH1A1PDE4A | |
| SCHEMBL7780760 | 0.86 | PTGS2 (0.47) | PTGS2PTGS1ABCB11ALDH1A1CDK2 | |
| SCHEMBL7779264 | 0.85 | PTGS2 (0.46) | 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 5 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-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 |