Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 6/20 | 0.67 |
| ▸ | CCND1 | P24385 | 6/20 | 0.67 |
| ▸ | CCND3 | P30281 | 5/20 | 0.67 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.67 |
| ▸ | CDK1 | P06493 | 3/20 | 0.67 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.67 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.67 |
| ▸ | CDK2 | P24941 | 3/20 | 0.67 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.67 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.37 |
| ▸ | CBFB | Q13951 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 2/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.35 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 2/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | AKT2 | P31751 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2143572 | 0.99 | CDK4 (0.66) | CDK4CCND1CCND3CDK6CDK1 | |
| SCHEMBL114340 | 0.85 | CDK4 (0.84) | CDK4CCND1CCND3CDK6CDK1 | |
| SCHEMBL112557 | 0.83 | CDK4 (0.71) | CDK4CCND1CCND3CDK6CDK1 | |
| SCHEMBL2129207 | 0.81 | CDK4 (0.78) | CDK4CCND1CCND3CDK6CDK1 | |
| SCHEMBL110592 | 0.81 | CDK4 (0.77) | CDK4CCND1CCND3CDK6CDK1 | |
| SCHEMBL112922 | 0.81 | CDK4 (0.73) | CDK4CCND1CCND3CDK6CDK1 | |
| SCHEMBL111810 | 0.81 | CDK4 (0.83) | CDK4CCND1CCND3CDK6CDK1 | |
| SCHEMBL112928 | 0.80 | CDK4 (0.72) | CDK4CCND1CCND3CDK6CDK1 | |
| SCHEMBL111060 | 0.80 | CDK4 (0.70) | CDK4CCND1CCND3CDK6CDK1 | |
| SCHEMBL110729 | 0.80 | CDK4 (0.74) | CDK4CCND1CCND3CDK6CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010125402-A1 | IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES | NOVARTIS AG (CH) | 2010-11-04 | — | — | WO | claimed |
| WO-2010125402-A1 | IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES | NOVARTIS AG (CH) | 2010-11-04 | — | — | WO | disclosed |