Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.44 |
| ▸ | CA2 | P00918 | 6/20 | 0.43 |
| ▸ | CA1 | P00915 | 5/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | CHUK | O15111 | 1/20 | 0.43 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 5/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7778037 | 1.00 | MAPK14 (0.45) | MAPK14LRRK2PTGS2CA2CA1 | |
| SCHEMBL7777929 | 0.89 | PTGS2 (0.45) | MAPK14PTGS2PTGS1ALOX5 | |
| SCHEMBL7777309 | 0.89 | PTGS2 (0.45) | MAPK14PTGS2PTGS1ALOX5 | |
| SCHEMBL7777591 | 0.82 | MAPK14 (0.49) | MAPK14LRRK2PTGS2CA2CA1 | |
| SCHEMBL7779782 | 0.82 | MAPK14 (0.49) | MAPK14LRRK2PTGS2CA2CA1 | |
| SCHEMBL7779465 | 0.81 | MAPK14 (0.45) | MAPK14LRRK2PTGS2CA2CA1 | |
| SCHEMBL7779780 | 0.81 | IKBKB (0.46) | MAPK14LRRK2PTGS2CA2CA1 | |
| SCHEMBL7773321 | 0.81 | IKBKB (0.46) | MAPK14LRRK2PTGS2CA2CA1 | |
| SCHEMBL7773121 | 0.81 | MAPK14 (0.45) | MAPK14LRRK2PTGS2CA2CA1 | |
| SCHEMBL7780485 | 0.78 | PTGS2 (0.58) | MAPK14LRRK2PTGS2CA2CA1 |
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 |