Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 11/20 | 0.53 |
| ▸ | CA1 | P00915 | 10/20 | 0.53 |
| ▸ | CA9 | Q16790 | 9/20 | 0.50 |
| ▸ | CA12 | O43570 | 6/20 | 0.50 |
| ▸ | CA4 | P22748 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.46 |
| ▸ | CDK8 | P49336 | 1/20 | 0.43 |
| ▸ | TTK | P33981 | 3/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7650568 | 0.83 | KCNH2 (0.42) | — | |
| SCHEMBL7234406 | 0.82 | CA2 (0.58) | CA2CA1CA9CA12CA4 | |
| SCHEMBL4714329 | 0.82 | CA2 (0.62) | CA2CA1CA9CA12CA14 | |
| SCHEMBL28032548 | 0.81 | CA2 (0.73) | CA2CA1CA9CA12CA4 | |
| SCHEMBL3136165 | 0.80 | ALDH1A1 (0.51) | — | |
| SCHEMBL99048 | 0.79 | CA2 (0.52) | CA2CA1CA9CA12CA4 | |
| SCHEMBL2224212 | 0.79 | TNNI3K (0.44) | MAOA | |
| SCHEMBL16720385 | 0.78 | CA2 (0.47) | CA2CA1CA9CA12CA4 | |
| SCHEMBL1926937 | 0.77 | CA2 (0.67) | CA2CA1CA9CA12CA4 | |
| SCHEMBL17200853 | 0.77 | MEN1 (0.39) | CA2CA9CA12MAOA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6979693-B2 | Pyrazole derivatives-p38 MAP kinase inhibitors | SYNTEX (U.S.A.) LLC (US) | 2005-12-27 | — | — | US | disclosed |
| US-6444696-B1 | 1-ARYL OR HETEROARYL SUBSTITUTED 5-AMINO-4 CARBONYLPYRAZOLE DERIVATIVES; ANTIINFLAMMATORY AGENTS | SYNTEX (U.S.A.) LLC | 2002-09-03 | — | — | US | disclosed |
| US-6376527-B1 | ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES | SYNTEX (U.S.A.) LLC | 2002-04-23 | — | — | US | disclosed |
| US-6316466-B1 | Pyrazole derivatives P-38 MAP kinase inhibitors | SYNTEX (U.S.A.) LLC | 2001-11-13 | — | — | US | disclosed |