Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.31 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4965819 | 0.96 | AURKA (0.35) | AURKAAURKB | |
| SCHEMBL4963344 | 0.88 | AURKA (0.34) | AURKAAURKB | |
| SCHEMBL4888268 | 0.85 | AURKA (0.56) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL4891866 | 0.80 | PDE4A (0.52) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL4829267 | 0.78 | AURKA (0.35) | AURKAAURKB | |
| SCHEMBL5952191 | 0.75 | HPSE (0.43) | — | |
| SCHEMBL3578314 | 0.73 | AMY1A (0.42) | — | |
| SCHEMBL4827132 | 0.72 | AURKA (0.44) | AURKAAURKBPDE4APDE4BPDE4C | |
| SCHEMBL5953399 | 0.72 | PTGDR2 (0.43) | — | |
| SCHEMBL5618911 | 0.71 | AURKA (0.50) | AURKAAURKBPDE4APDE4BPDE4C |
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 |
|---|---|---|---|---|---|---|---|
| JP-2008535876-A | — | — | 2008-09-04 | — | — | JP | claimed |
| EP-1879894-A1 | AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-01-23 | — | — | EP | claimed |
| WO-2006108489-A1 | AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-10-19 | — | — | WO | claimed |
| EP-1879894-A1 | AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-01-23 | — | — | EP | disclosed |
| WO-2006108489-A1 | AMINOPYRAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-10-19 | — | — | WO | disclosed |