Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 10/20 | 0.49 |
| ▸ | CDK4 | P11802 | 9/20 | 0.49 |
| ▸ | JAK2 | O60674 | 4/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | EIF2AK2 | P19525 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | ITK | Q08881 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 3/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | PRKCA | P17252 | 2/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | BCR | P11274 | 2/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8326117 | 0.91 | CDK2 (0.51) | CDK2CDK4JAK2HDAC1HDAC6 | |
| SCHEMBL8324386 | 0.89 | CDK2 (0.52) | CDK2CDK4JAK2EIF2AK2PIK3CA | |
| SCHEMBL14011226 | 0.88 | SYK (0.51) | CDK2CDK4HDAC1HDAC6EIF2AK2 | |
| SCHEMBL8324838 | 0.85 | EIF2AK2 (0.60) | CDK2CDK4EIF2AK2PIK3CAPIK3CB | |
| SCHEMBL8316906 | 0.84 | CDK4 (0.58) | CDK2CDK4JAK2EIF2AK2CDC7 | |
| SCHEMBL8320327 | 0.81 | JAK2 (0.45) | CDK2CDK4JAK2HDAC1HDAC6 | |
| SCHEMBL14011221 | 0.79 | SYK (0.53) | CDK2CDK4JAK2HDAC1HDAC6 | |
| SCHEMBL8323685 | 0.78 | CDK4 (0.48) | CDK2CDK4EIF2AK2 | |
| SCHEMBL8324834 | 0.78 | CDK4 (0.56) | CDK2CDK4EIF2AK2 | |
| SCHEMBL8324564 | 0.77 | CDK4 (0.66) | CDK2CDK4EIF2AK2FGFR1KDR |
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-7456190-B2 | Compositions useful as protein kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-11-25 | — | — | US | disclosed |
| WO-2004083203-A1 | COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-09-30 | — | — | WO | disclosed |