Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 14/20 | 0.59 |
| ▸ | AURKA | O14965 | 13/20 | 0.59 |
| ▸ | SRC | P12931 | 3/20 | 0.48 |
| ▸ | GSK3B | P49841 | 3/20 | 0.48 |
| ▸ | AURKC | Q9UQB9 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2201971 | 0.92 | AURKB (0.60) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL2205038 | 0.88 | AURKB (0.75) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL2203099 | 0.85 | AURKB (0.63) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL2203611 | 0.85 | AURKB (0.65) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL2204695 | 0.81 | AURKB (0.60) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL2203133 | 0.81 | AURKB (0.60) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL2205314 | 0.79 | AURKA (0.73) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL2200635 | 0.79 | AURKB (0.61) | AURKBAURKASRCGSK3BAURKC | |
| SCHEMBL2204846 | 0.79 | AURKB (0.76) | AURKBAURKASRCGSK3BADORA2A | |
| SCHEMBL2204076 | 0.78 | AURKB (0.56) | AURKBAURKASRCGSK3BAURKC |
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-1345926-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-09-24 | — | — | EP | disclosed |
| WO-2002059111-A2 | PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-01 | — | — | WO | disclosed |