Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 14/20 | 0.83 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.80 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.78 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.65 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.64 |
| ▸ | CA1 | P00915 | 2/20 | 0.64 |
| ▸ | CA2 | P00918 | 2/20 | 0.64 |
| ▸ | CA9 | Q16790 | 2/20 | 0.64 |
| ▸ | PTGES | O14684 | 1/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.64 |
| ▸ | PDE5A | O76074 | 1/20 | 0.64 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.64 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | CA3 | P07451 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.64 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL212983 | 1.00 | PTGS2 (0.83) | PTGS2CYP2C9PTGS1CHRNA7PDPK1 | |
| SCHEMBL212919 | 0.94 | CYP2C9 (0.90) | PTGS2CYP2C9PTGS1PDPK1CA1 | |
| SCHEMBL5698697 | 0.94 | PTGS2 (0.88) | PTGS2CYP2C9PTGS1CHRNA7PDPK1 | |
| SCHEMBL6452272 | 0.93 | PTGS2 (0.92) | PTGS2CYP2C9PTGS1CHRNA7CA1 | |
| SCHEMBL8126311 | 0.92 | PTGS2 (0.77) | PTGS2CYP2C9PTGS1CHRNA7PDPK1 | |
| SCHEMBL8112204 | 0.89 | PTGS2 (0.80) | PTGS2CYP2C9PTGS1CHRNA7PDPK1 | |
| SCHEMBL8112778 | 0.89 | PTGS2 (0.80) | PTGS2CYP2C9PTGS1CHRNA7PDPK1 | |
| SCHEMBL8420798 | 0.89 | PTGS2 (0.80) | PTGS2CYP2C9PTGS1ALOX5 | |
| SCHEMBL212707 | 0.89 | PTGS2 (0.80) | PTGS2CYP2C9PTGS1CHRNA7PDPK1 | |
| SCHEMBL8424052 | 0.89 | PTGS2 (0.80) | PTGS2CYP2C9PTGS1ALOX5 |
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-0731796-B1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-08-02 | — | — | EP | claimed |
| EP-0731796-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-09-18 | — | — | EP | claimed |
| WO-1995015318-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | claimed |
| EP-0731796-B1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2000-08-02 | — | — | EP | disclosed |
| EP-0731796-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-09-18 | — | — | EP | disclosed |
| US-5434178-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G.D. SEARLE & CO. (US) | 1995-07-18 | — | — | US | disclosed |
| WO-1995015318-A1 | 1,3,5-TRISUBSTITUTED PYRAZOLE COMPOUNDS FOR TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | disclosed |