Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 15/20 | 0.43 |
| ▸ | GSK3B | P49841 | 14/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 14/20 | 0.43 |
| ▸ | SRC | P12931 | 10/20 | 0.43 |
| ▸ | AURKC | Q9UQB9 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2204191 | 0.92 | AURKA (0.45) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL7152255 | 0.83 | HTT (0.47) | AURKAGSK3BAURKBSRC | |
| SCHEMBL7143467 | 0.81 | AURKB (0.54) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL7149384 | 0.79 | AURKB (0.52) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL7150403 | 0.79 | AURKA (0.60) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL2203908 | 0.74 | GSK3B (0.51) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL2204183 | 0.74 | HPGDS (0.51) | AURKAGSK3BAURKBSRC | |
| SCHEMBL2202480 | 0.72 | AURKB (0.56) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL2203855 | 0.71 | AURKA (0.56) | AURKAGSK3BAURKBSRCAURKC | |
| SCHEMBL7153044 | 0.70 | AURKA (0.53) | AURKAGSK3BAURKBSRCAURKC |
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 |
|---|---|---|---|---|---|---|---|
| EP-1345922-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2003-09-24 | — | — | EP | disclosed |
| EP-1345926-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002066461-A1 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-29 | — | — | WO | disclosed |
| WO-2002059111-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-01 | — | — | WO | disclosed |