Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 18/20 | 0.71 |
| ▸ | CCND3 | P30281 | 18/20 | 0.71 |
| ▸ | CDK6 | Q00534 | 18/20 | 0.71 |
| ▸ | CDK1 | P06493 | 11/20 | 0.71 |
| ▸ | CCNA2 | P20248 | 11/20 | 0.71 |
| ▸ | CSF1R | P07333 | 1/20 | 0.60 |
| ▸ | CDK2 | P24941 | 2/20 | 0.56 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.56 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.54 |
| ▸ | PIM1 | P11309 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL19966387 | 0.90 | CDK6 (0.69) | CDK4CCND3CDK6CDK1CCNA2 | |
| SCHEMBL17488811 | 0.88 | CDK4 (0.70) | CDK4CCND3CDK6CDK1CCNA2 | |
| SCHEMBL17488855 | 0.88 | CDK4 (0.70) | CDK4CCND3CDK6CDK1CCNA2 | |
| SCHEMBL19966523 | 0.87 | CDK4 (0.72) | CDK4CCND3CDK6CDK1CCNA2 | |
| SCHEMBL18822776 | 0.83 | CDK4 (1.00) | CDK4CCND3CDK6CDK1CCNA2 | |
| SCHEMBL18822838 | 0.82 | CDK6 (1.00) | CDK4CCND3CDK6CDK1CCNA2 | |
| SCHEMBL18822837 | 0.82 | CDK6 (1.00) | CDK4CCND3CDK6CDK1CCNA2 | |
| SCHEMBL18822762 | 0.82 | CDK6 (1.00) | CDK4CCND3CDK6CDK1CCNA2 | |
| SCHEMBL19966520 | 0.81 | CDK4 (0.61) | CDK4CCND3CDK6CDK1CCNA2 | |
| SCHEMBL22166782 | 0.81 | CCND3 (0.85) | CDK4CCND3CDK6CDK1CCNA2 |
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-2018045957-A1 | CDK4/6 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 | 2018-03-15 | — | — | WO | disclosed |