Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.69 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.58 |
| ▸ | MMP2 | P08253 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8112443 | 0.96 | PTGS2 (0.69) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL8118945 | 0.90 | PTGS2 (0.73) | PTGS2PTGS1CYP2C9PDPK1MMP2 | |
| SCHEMBL8422330 | 0.89 | PTGS2 (0.69) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL8126855 | 0.89 | PTGS2 (0.79) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL8111712 | 0.89 | PTGS2 (0.79) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL8126736 | 0.88 | PTGS2 (0.71) | PTGS2PTGS1CYP2C9PDPK1MMP2 | |
| SCHEMBL8126517 | 0.88 | PTGS2 (0.73) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL8127713 | 0.88 | PTGS2 (0.73) | PTGS2PTGS1CYP2C9PDPK1 | |
| SCHEMBL212707 | 0.88 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9PDPK1MMP2 | |
| SCHEMBL5698697 | 0.87 | PTGS2 (0.88) | PTGS2PTGS1CYP2C9PDPK1 |
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 2 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 | disclosed |
| US-5434178-A | 1,3,5 trisubstituted pyrazole compounds for treatment of inflammation | G.D. SEARLE & CO. (US) | 1995-07-18 | — | — | US | disclosed |