Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.47 |
| ▸ | CA2 | P00918 | 10/20 | 0.47 |
| ▸ | CA9 | Q16790 | 8/20 | 0.47 |
| ▸ | CA12 | O43570 | 6/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.47 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA5A | P35218 | 2/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | ILK | Q13418 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | GYS1 | P13807 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8953573 | 0.83 | CA2 (0.44) | CA1CA2CA9CA12CA14 | |
| SCHEMBL8765016 | 0.80 | PTGS2 (0.51) | CA1CA2CA9CA12CA14 | |
| SCHEMBL8691750 | 0.72 | SCN9A (0.44) | CA1CA2CA9CA12CA14 | |
| SCHEMBL8607752 | 0.71 | PTGS2 (0.62) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL8607523 | 0.70 | PTGS2 (0.46) | CA1CA2CA9CA12PTGS2 | |
| SCHEMBL8765949 | 0.69 | PTGS2 (0.50) | CA1CA2CA9CA12CA14 | |
| SCHEMBL8766023 | 0.68 | PTGS2 (0.53) | CA1CA2CA9CA12CA14 | |
| SCHEMBL8766312 | 0.68 | PTGS2 (0.51) | PTGS2PTGS1 | |
| SCHEMBL8926251 | 0.67 | MEN1 (0.49) | PTGS2ILKIDO1GYS1MEN1 | |
| SCHEMBL8765554 | 0.67 | PTGS2 (0.55) | CA1CA2CA9CA12CA14 |
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 |