Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 9/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.49 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.43 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 2/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7777717 | 0.90 | MAP2K7 (0.53) | LRRK2PTGS1PTGS2MAP2K7MAP2K4 | |
| SCHEMBL7779454 | 0.90 | LRRK2 (0.45) | LRRK2PTGS1PTGS2CYP2C9MAPT | |
| SCHEMBL7780679 | 0.86 | LRRK2 (0.53) | LRRK2PTGS1PTGS2CA1CA2 | |
| SCHEMBL7777620 | 0.86 | LRRK2 (0.60) | LRRK2PTGS1PTGS2CA1CA2 | |
| SCHEMBL7779616 | 0.83 | LRRK2 (0.64) | LRRK2PTGS1PTGS2CA1CA2 | |
| SCHEMBL7780622 | 0.83 | LRRK2 (0.57) | LRRK2PTGS1PTGS2MAP2K7MAP2K4 | |
| SCHEMBL8633926 | 0.81 | MAPT (0.46) | LRRK2PTGS1PTGS2CA1CA2 | |
| SCHEMBL7777855 | 0.81 | LRRK2 (0.55) | LRRK2PTGS1PTGS2MAP2K7MAP2K4 | |
| SCHEMBL7779612 | 0.80 | PTGS2 (0.49) | LRRK2PTGS1PTGS2 | |
| SCHEMBL7780586 | 0.80 | LRRK2 (0.52) | LRRK2PTGS1PTGS2MAP2K7MAP2K4 |
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 5 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-5580985-A | ANTIARTHRITIC AGENT; SIDE EFFECT REDUCTION | G. D. SEARLE & CO. (US) | 1996-12-03 | — | — | US | disclosed |
| US-5486534-A | 3,4-substituted pyrazoles for the treatment of inflammation | G. D. SEARLE & CO. (US) | 1996-01-23 | — | — | US | disclosed |