Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 1/20 | 0.55 |
| ▸ | CDK9 | P50750 | 1/20 | 0.55 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.54 |
| ▸ | RAF1 | P04049 | 1/20 | 0.50 |
| ▸ | BRAF | P15056 | 1/20 | 0.50 |
| ▸ | IKBKB | O14920 | 1/20 | 0.48 |
| ▸ | EGFR | P00533 | 2/20 | 0.47 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.47 |
| ▸ | BMPR2 | Q13873 | 4/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 2/20 | 0.45 |
| ▸ | MTOR | P42345 | 2/20 | 0.45 |
| ▸ | SMG1 | Q96Q15 | 2/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.44 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 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 | |
|---|---|---|---|---|
| SCHEMBL14254303 | 0.88 | EGFR (0.55) | ROCK1RAF1BRAFIKBKBEGFR | |
| SCHEMBL14254283 | 0.85 | CCNT1 (0.51) | CCNT1CDK9ROCK1RAF1BRAF | |
| SCHEMBL12487274 | 0.84 | CDK9 (0.70) | CCNT1CDK9ROCK1RAF1BRAF | |
| SCHEMBL28807899 | 0.84 | EGFR (0.60) | CCNT1CDK9ROCK1EGFRERBB3 | |
| SCHEMBL14254299 | 0.83 | MAPK10 (0.52) | ROCK1EGFRERBB3SYKMAPK10 | |
| SCHEMBL14254297 | 0.83 | ROCK1 (0.57) | ROCK1RAF1BRAFEGFRERBB3 | |
| SCHEMBL14254293 | 0.83 | MAPK10 (0.57) | ROCK1EGFRMAPK10 | |
| SCHEMBL14253959 | 0.82 | IKBKB (0.67) | CCNT1CDK9IKBKBSYKCDK2 | |
| SCHEMBL14254295 | 0.82 | EGFR (0.50) | ROCK1RAF1EGFRERBB3CDK1 | |
| SCHEMBL14254294 | 0.82 | MAPK10 (0.48) | ROCK1RAF1BRAFEGFRMAPK10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7348335-B2 | Compositions useful as inhibitors of JAK and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-03-25 | — | — | US | disclosed |
| US-7348335-B2 | Compositions useful as inhibitors of JAK and other protein kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-03-25 | — | — | US | disclosed |