Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.60 |
| ▸ | GYS1 | P13807 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 7/20 | 0.47 |
| ▸ | TTK | P33981 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.46 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.45 |
| ▸ | MAP2K7 | O14733 | 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 | |
|---|---|---|---|---|
| SCHEMBL7780001 | 0.91 | LRRK2 (0.51) | LRRK2GYS1PTGS2PTGS1TTK | |
| SCHEMBL7780727 | 0.90 | LRRK2 (0.50) | LRRK2GYS1PTGS2PTGS1TTK | |
| SCHEMBL7773014 | 0.88 | LRRK2 (0.61) | LRRK2GYS1PTGS2PTGS1TTK | |
| SCHEMBL7773326 | 0.88 | LRRK2 (0.68) | LRRK2GYS1PTGS2PTGS1TTK | |
| SCHEMBL7773215 | 0.87 | LRRK2 (0.77) | LRRK2GYS1PTGS2CA1CA2 | |
| SCHEMBL7777620 | 0.87 | LRRK2 (0.60) | LRRK2GYS1PTGS2PTGS1CA12 | |
| SCHEMBL7779954 | 0.87 | LRRK2 (0.60) | LRRK2GYS1PTGS2PTGS1CA12 | |
| SCHEMBL8628027 | 0.87 | GYS1 (0.53) | LRRK2GYS1PTGS2PTGS1 | |
| SCHEMBL7778049 | 0.87 | LRRK2 (0.64) | LRRK2GYS1PTGS2PTGS1TTK | |
| SCHEMBL7780586 | 0.86 | LRRK2 (0.52) | LRRK2GYS1PTGS2PTGS1TTK |
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 |