Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 19/20 | 1.00 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.63 |
| ▸ | PRKCA | P17252 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL13046775 | 0.89 | CDK1 (1.00) | CDK1CDK5PRKCA | |
| SCHEMBL3691935 | 0.86 | CDK1 (1.00) | CDK1CDK5 | |
| SCHEMBL3691933 | 0.86 | CDK1 (1.00) | CDK1CDK5 | |
| SCHEMBL13046767 | 0.86 | CDK1 (1.00) | CDK1CDK5 | |
| SCHEMBL13046771 | 0.80 | CDK1 (1.00) | CDK1CDK5 | |
| SCHEMBL20549707 | 0.78 | CDK1 (0.70) | CDK1CDK5PRKCA | |
| SCHEMBL1217356 | 0.78 | CDK1 (1.00) | CDK1CDK5 | |
| SCHEMBL3690229 | 0.78 | CDK1 (1.00) | CDK1CDK5 | |
| SCHEMBL3690226 | 0.78 | CDK1 (1.00) | CDK1CDK5 | |
| SCHEMBL6016585 | 0.77 | CDK1 (0.80) | CDK1CDK5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010136705-A1 | PHARMACEUTICAL ANTITUMOR COMPOSITION INCLUDING A CDK INHIBITOR AND A CELL-GROWTH INHIBITOR | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2010-12-02 | — | — | WO | disclosed |