Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 19/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 8/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | THPO | P40225 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL8127743 | 0.91 | PTGS2 (0.76) | PTGS2PTGS1 | |
| SCHEMBL8423854 | 0.89 | PTGS2 (0.64) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8422328 | 0.88 | PTGS2 (0.65) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL8423896 | 0.87 | PTGS2 (0.82) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8422275 | 0.87 | PTGS2 (0.82) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8420916 | 0.84 | PTGS2 (0.60) | PTGS2PTGS1 | |
| SCHEMBL8424165 | 0.83 | PTGS2 (0.64) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8420853 | 0.83 | PTGS2 (0.66) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL8420278 | 0.81 | PTGS2 (0.64) | PTGS2PTGS1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8422369 | 0.81 | PTGS2 (0.70) | PTGS2PTGS1CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |