Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 15/20 | 0.77 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | AOC3 | Q16853 | 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 | |
|---|---|---|---|---|
| SCHEMBL6013902 | 0.90 | PTGS2 (0.77) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL19953620 | 0.87 | PTGS2 (0.70) | PTGS2PTGS1CYP2C9AOC3 | |
| SCHEMBL7243347 | 0.86 | PTGS2 (0.81) | PTGS2PTGS1CYP2C9 | |
| Hydrochloric Acid SCHEMBL9207228 | 0.85 | PTGS2 (0.79) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL7457684 | 0.85 | PTGS2 (0.74) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL7466325 | 0.84 | PTGS2 (0.80) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL8953884 | 0.84 | AOC3 (0.62) | PTGS2PTGS1AOC3 | |
| SCHEMBL9204374 | 0.84 | PTGS2 (0.69) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL8925698 | 0.83 | PTGS2 (0.71) | PTGS2PTGS1CYP2C9 | |
| SCHEMBL9208661 | 0.83 | PTGS2 (0.71) | 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 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 |