Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 7/20 | 0.54 |
| ▸ | CA2 | P00918 | 7/20 | 0.54 |
| ▸ | CA9 | Q16790 | 7/20 | 0.54 |
| ▸ | CA12 | O43570 | 6/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.54 |
| ▸ | CA3 | P07451 | 2/20 | 0.50 |
| ▸ | CA6 | P23280 | 2/20 | 0.50 |
| ▸ | CA5A | P35218 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | MAP2K4 | P45985 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | MAPK6 | Q16659 | 2/20 | 0.46 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.46 |
| ▸ | MAPKAPK5 | Q8IW41 | 1/20 | 0.46 |
| ▸ | GYS1 | P13807 | 6/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7778114 | 0.88 | LRRK2 (0.47) | LRRK2PTGS2MAP2K4MAPK1MAPK6 | |
| SCHEMBL7773326 | 0.88 | LRRK2 (0.68) | LRRK2CA1CA2CA9CA12 | |
| SCHEMBL7780655 | 0.86 | CA12 (0.57) | LRRK2CA1CA2CA9CA12 | |
| SCHEMBL7773014 | 0.85 | LRRK2 (0.61) | LRRK2CA1CA2CA9CA12 | |
| SCHEMBL8975131 | 0.85 | LRRK2 (0.52) | LRRK2CA1CA2CA9CA12 | |
| SCHEMBL7779954 | 0.84 | LRRK2 (0.60) | LRRK2CA1CA2CA9CA12 | |
| SCHEMBL7779654 | 0.84 | LRRK2 (0.60) | LRRK2CA1CA2CA9CA12 | |
| SCHEMBL7777620 | 0.84 | LRRK2 (0.60) | LRRK2CA1CA2CA9CA12 | |
| SCHEMBL7773215 | 0.84 | LRRK2 (0.77) | LRRK2CA1CA2PTGS2MAP2K4 | |
| SCHEMBL7777551 | 0.82 | CA1 (0.61) | LRRK2CA1CA2CA9CA12 |
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 7 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 | 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 |
| US-5580985-A | ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION | G. D. SEARLE & CO. (US) | 1996-12-03 | — | — | US | disclosed |
| WO-1996003385-A1 | 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-02-08 | — | — | WO | disclosed |
| US-5486534-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-01-23 | — | — | US | disclosed |