Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 12/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3239886 | 0.90 | PTGS2 (0.77) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL8954509 | 0.87 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL8954050 | 0.87 | PTGS2 (0.65) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL8953911 | 0.87 | PTGS2 (0.73) | PTGS2PTGS1 | |
| SCHEMBL9003118 | 0.87 | PTGS2 (0.73) | PTGS2PTGS1 | |
| SCHEMBL9002971 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL8924564 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL9002995 | 0.86 | PTGS2 (0.69) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL8953956 | 0.86 | PTGS2 (0.64) | PTGS2PTGS1 | |
| SCHEMBL8635509 | 0.86 | PTGS2 (0.78) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0731794-A1 | 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS | SEARLE & CO (US) | 1996-09-18 | — | — | EP | disclosed |
| WO-1995015317-A1 | 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS | G.D. SEARLE & CO. (US) | 1995-06-08 | — | — | WO | disclosed |