Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 16/20 | 0.62 |
| ▸ | PTGS1 | P23219 | 10/20 | 0.62 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5698536 | 0.79 | PTGS2 (1.00) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL6621394 | 0.75 | PTGS2 (0.53) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8607523 | 0.74 | PTGS2 (0.46) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8953573 | 0.73 | CA2 (0.44) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8953709 | 0.71 | CA1 (0.47) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL6725526 | 0.70 | CA12 (0.73) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL7780654 | 0.69 | PTGS2 (0.62) | PTGS2PTGS1 | |
| SCHEMBL6725513 | 0.69 | PTGS2 (0.77) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL15730256 | 0.69 | CA2 (0.62) | PTGS2PTGS1CA12CA1CA2 | |
| SCHEMBL8764358 | 0.69 | PTGS2 (0.52) | PTGS2PTGS1CA12CA1CA2 |
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-0731794-A1 | 1,4,5-TRIPHENYL PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION AND INFLAMMATION-RELATED DISORDERS | SEARLE & CO (US) | 1996-09-18 | — | — | EP | claimed |
| 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 | claimed |
| EP-0830133-A1 | THERAPEUTIC COMPOSITION FOR ARTHRITIS | Takeda Chemical Industries, Ltd. (JP) | 1998-03-25 | — | — | EP | disclosed |
| WO-1996033717-A1 | THERAPEUTIC COMPOSITION FOR ARTHRITIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-10-31 | — | — | WO | disclosed |
| 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 |