Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GYS1 | P13807 | 7/20 | 0.54 |
| ▸ | MAPK13 | O15264 | 5/20 | 0.45 |
| ▸ | MAPK12 | P53778 | 5/20 | 0.45 |
| ▸ | MAPK11 | Q15759 | 5/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 5/20 | 0.45 |
| ▸ | GCGR | P47871 | 4/20 | 0.45 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | RET | P07949 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
| ▸ | MATK | P42679 | 1/20 | 0.45 |
| ▸ | FRK | P42685 | 1/20 | 0.45 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.45 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.45 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL8953773 | 0.87 | GYS1 (0.54) | GYS1MAPK14GCGRMAPTCNR1 | |
| SCHEMBL7778156 | 0.83 | PTGS2 (0.48) | GYS1LRRK2PTGS1PTGS2 | |
| SCHEMBL7777308 | 0.82 | LRRK2 (0.57) | GYS1MAPTCNR1CNR2GPR55 | |
| SCHEMBL7790904 | 0.82 | PTGS2 (0.43) | GYS1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL5452750 | 0.81 | LRRK2 (0.58) | GYS1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL8758913 | 0.81 | SLC5A1 (0.46) | GYS1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL6252659 | 0.78 | PTGS2 (0.58) | GYS1LRRK2PTGS1PTGS2 | |
| SCHEMBL8758606 | 0.77 | GYS1 (0.38) | GYS1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL7864515 | 0.74 | MAPK13 (0.42) | MAPK13MAPK12MAPK11MAPK14GCGR | |
| SCHEMBL8627994 | 0.74 | LRRK2 (0.46) | GYS1MAPTCNR1CNR2GPR55 |
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 8 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 |
| US-5756530-A | NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS | G. D. SEARLE & CO. (US) | 1998-05-26 | — | — | 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 |