Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 3/20 | 0.52 |
| ▸ | CDK2 | P24941 | 2/20 | 0.52 |
| ▸ | CDK4 | P11802 | 2/20 | 0.52 |
| ▸ | CCND1 | P24385 | 2/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.52 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.52 |
| ▸ | BRAF | P15056 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | GSK3A | P49840 | 2/20 | 0.49 |
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL25053109 | 0.88 | CDK4 (0.52) | CDK1CDK2CDK4CCND1CCNB1 | |
| SCHEMBL13363001 | 0.86 | BRAF (0.55) | CDK2CDK4CCND1BRAFCCND2 | |
| SCHEMBL13252103 | 0.81 | BRAF (0.46) | CDK1CDK2CCNB1BRAFMAP3K5 | |
| SCHEMBL2741577 | 0.81 | BRAF (0.60) | BRAFMAP3K5KDRDGAT1 | |
| SCHEMBL5495505 | 0.81 | ADRB2 (0.58) | CDK1CDK2CDK4CCND1CCNB1 | |
| SCHEMBL3339632 | 0.81 | NPY5R (0.55) | CDK1CDK2CDK4CCND1CCNB1 | |
| SCHEMBL13252152 | 0.80 | BRAF (0.49) | CDK1CDK2CCNB1BRAFTP53 | |
| SCHEMBL13363061 | 0.80 | BRAF (0.49) | CDK1CDK2CCNB1BRAFTP53 | |
| SCHEMBL17673269 | 0.80 | MAP3K5 (0.65) | CDK1CDK2CCNB1TP53MAPT | |
| SCHEMBL167891 | 0.80 | MAP3K5 (0.60) | CDK1CDK2CDK4CCND1CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1836174-B1 | ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | AMGEN INC (US) | 2013-02-27 | — | — | EP | disclosed |