Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 10/20 | 0.61 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.61 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7779601 | 1.00 | PTGS2 (0.61) | PTGS2PTGS1LRRK2CA1CA2 | |
| SCHEMBL7779690 | 0.90 | PTGS2 (0.62) | PTGS2PTGS1CA1CA2PDPK1 | |
| SCHEMBL7779270 | 0.90 | PTGS2 (0.74) | PTGS2PTGS1CA1CA2CA12 | |
| SCHEMBL7777698 | 0.89 | PTGS2 (0.61) | PTGS2PTGS1LRRK2CA1CA2 | |
| SCHEMBL7779789 | 0.89 | PTGS2 (0.64) | PTGS2PTGS1CA1CA2CYP2C9 | |
| SCHEMBL7780048 | 0.89 | PTGS2 (0.61) | PTGS2PTGS1LRRK2CA1CA2 | |
| SCHEMBL7777891 | 0.89 | PTGS2 (0.61) | PTGS2PTGS1CA1CA2PDPK1 | |
| SCHEMBL7779918 | 0.89 | PTGS2 (0.62) | PTGS2PTGS1 | |
| SCHEMBL7778175 | 0.89 | PTGS2 (0.62) | PTGS2PTGS1 | |
| SCHEMBL7778052 | 0.87 | PTGS2 (0.60) | PTGS2PTGS1CA1CA2CA12 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0772597-B1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2001-12-12 | — | — | EP | claimed |
| EP-1127878-A1 | 3,4 - substituted pyrazoles for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2001-08-29 | — | — | EP | claimed |
| US-6028072-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | claimed |
| EP-0772597-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | claimed |
| WO-1996003385-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | claimed |
| EP-0772597-B1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | SEARLE & CO (US) | 2001-12-12 | — | — | EP | disclosed |
| EP-1127878-A1 | 3,4 - substituted pyrazoles for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2001-08-29 | — | — | EP | disclosed |
| US-6028072-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | disclosed |
| EP-0772597-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996003385-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | disclosed |