Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.83 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.53 |
| ▸ | RARA | P10276 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 1/20 | 0.53 |
| ▸ | RARG | P13631 | 1/20 | 0.53 |
| ▸ | RXRA | P19793 | 1/20 | 0.53 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL8424042 | 1.00 | PTGS2 (0.83) | PTGS2PTGS1CYP2C9CHRNA7RARA | |
| SCHEMBL8421924 | 0.94 | PTGS2 (0.72) | PTGS2PTGS1CYP2C9RARARARB | |
| SCHEMBL8420804 | 0.94 | PTGS2 (0.88) | PTGS2PTGS1CYP2C9RARARARB | |
| SCHEMBL8420798 | 0.89 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9RARARARB | |
| SCHEMBL8112778 | 0.89 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9CHRNA7PDPK1 | |
| SCHEMBL8421185 | 0.89 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9RARARARB | |
| SCHEMBL8112204 | 0.89 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9CHRNA7PDPK1 | |
| SCHEMBL8420828 | 0.89 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9RARARARB | |
| SCHEMBL8424052 | 0.89 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9RARARARB | |
| SCHEMBL8423279 | 0.89 | PTGS2 (0.72) | PTGS2PTGS1CYP2C9CHRNA7RARA |
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-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 |
| US-5908852-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G. D. SEARLE & CO. (US) | 1999-06-01 | — | — | US | 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 |