Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 7/20 | 0.55 |
| ▸ | GSK3B | P49841 | 4/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.43 |
| ▸ | FADS1 | O60427 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4494950 | 0.93 | TRPA1 (0.62) | TRPA1GSK3BCDK1CDK2GRM4 | |
| SCHEMBL4496261 | 0.92 | GSK3B (0.56) | TRPA1GSK3BCDK1CDK2FADS1 | |
| SCHEMBL4508742 | 0.85 | GSK3B (0.58) | GSK3BCDK1CDK2FADS1CYP1A2 | |
| SCHEMBL1375699 | 0.84 | GSK3B (0.52) | TRPA1GSK3BCDK1CDK2GRM4 | |
| SCHEMBL4510158 | 0.82 | GSK3B (0.60) | TRPA1GSK3BCDK1CDK2GRM4 | |
| SCHEMBL4500190 | 0.81 | GSK3B (0.56) | TRPA1GSK3BCDK1CDK2FADS1 | |
| SCHEMBL4497901 | 0.80 | GSK3B (0.70) | TRPA1GSK3BCDK1CDK2FADS1 | |
| SCHEMBL2333075 | 0.77 | GSK3B (0.57) | TRPA1GSK3BCDK1CDK2GRM4 | |
| SCHEMBL4498900 | 0.77 | TRPA1 (0.59) | TRPA1GSK3BCDK1CDK2FADS1 | |
| SCHEMBL4509554 | 0.75 | FADS1 (0.59) | TRPA1GSK3BCDK1CDK2GRM4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1537087-A1 | NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | Aventis Pharma S.A. (FR) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004022544-A1 | NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME | AVENTIS PHARMA S.A. (FR) | 2004-03-18 | — | — | WO | disclosed |