Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 10/20 | 0.46 |
| ▸ | CA2 | P00918 | 9/20 | 0.46 |
| ▸ | CA12 | O43570 | 9/20 | 0.46 |
| ▸ | CA1 | P00915 | 8/20 | 0.46 |
| ▸ | CA3 | P07451 | 2/20 | 0.46 |
| ▸ | CA6 | P23280 | 2/20 | 0.46 |
| ▸ | CA5A | P35218 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.46 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.45 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 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 | |
|---|---|---|---|---|
| SCHEMBL7780566 | 0.90 | CA9 (0.51) | CA9CA2CA12CA1CA3 | |
| SCHEMBL7777288 | 0.88 | PTGS2 (0.45) | PTGS2PTGS1HSP90AA1 | |
| SCHEMBL7773067 | 0.87 | PTGS2 (0.47) | CA9CA2CA12CA1CA3 | |
| SCHEMBL8166781 | 0.86 | CA12 (0.54) | CA9CA2CA12CA1CA3 | |
| SCHEMBL7777358 | 0.84 | PTGS2 (0.48) | CA9CA2CA12CA1CA3 | |
| SCHEMBL7778123 | 0.80 | PTGS2 (0.44) | CA9CA2CA12CA1LRRK2 | |
| SCHEMBL7772912 | 0.77 | CA1 (0.52) | CA9CA2CA12CA1CA3 | |
| SCHEMBL7772868 | 0.77 | PTGS2 (0.54) | PTGS2PTGS1HSP90AA1 | |
| SCHEMBL7777620 | 0.77 | LRRK2 (0.60) | CA9CA2CA12CA1CA3 | |
| SCHEMBL7780798 | 0.77 | CA12 (0.46) | CA9CA2CA12CA1CA3 |
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 |
| 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 |