Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.52 |
| ▸ | MTOR | P42345 | 6/20 | 0.48 |
| ▸ | CDK2 | P24941 | 5/20 | 0.48 |
| ▸ | CDK1 | P06493 | 5/20 | 0.48 |
| ▸ | SMG1 | Q96Q15 | 5/20 | 0.48 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 3/20 | 0.44 |
| ▸ | LYN | P07948 | 1/20 | 0.44 |
| ▸ | TXK | P42681 | 1/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | TNNI3K | Q59H18 | 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 | |
|---|---|---|---|---|
| SCHEMBL14263798 | 0.88 | CDK2 (0.48) | ROCK1CDK2CDK1RAF1BRAF | |
| SCHEMBL14254322 | 0.83 | ROCK1 (0.52) | ROCK1MTORCDK2CDK1SMG1 | |
| SCHEMBL14254328 | 0.83 | ROCK1 (0.52) | ROCK1MTORCDK2CDK1SMG1 | |
| SCHEMBL14263783 | 0.82 | CDK1 (0.60) | MTORCDK2CDK1SMG1SYK | |
| SCHEMBL28807899 | 0.76 | EGFR (0.60) | ROCK1MTORCDK2CDK1SMG1 | |
| SCHEMBL14254305 | 0.75 | CCNT1 (0.55) | ROCK1MTORCDK2CDK1SMG1 | |
| SCHEMBL3999434 | 0.72 | MAPK8 (0.66) | ROCK1JAK2 | |
| SCHEMBL14348380 | 0.72 | KMT2A (0.52) | MTORCDK2CDK1PIK3CAPIK3CG | |
| SCHEMBL12487274 | 0.72 | CDK9 (0.70) | ROCK1MTORCDK2CDK1SMG1 | |
| SCHEMBL14254283 | 0.72 | CCNT1 (0.51) | ROCK1MTORCDK2CDK1SMG1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7348335-B2 | Compositions useful as inhibitors of JAK and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-03-25 | — | — | US | disclosed |