Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 15/20 | 0.40 |
| ▸ | CDK6 | Q00534 | 14/20 | 0.40 |
| ▸ | CCND1 | P24385 | 6/20 | 0.40 |
| ▸ | CDK1 | P06493 | 5/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.40 |
| ▸ | EGFR | P00533 | 5/20 | 0.38 |
| ▸ | CDK2 | P24941 | 9/20 | 0.36 |
| ▸ | CCND3 | P30281 | 5/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.36 |
| ▸ | CDK7 | P50613 | 2/20 | 0.36 |
| ▸ | CCNH | P51946 | 2/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29936686 | 1.00 | CDK4 (0.40) | CDK4CDK6CCND1CDK1CCNB1 | |
| SCHEMBL22650886 | 0.85 | CDK4 (0.46) | CDK4CDK6CCND1CDK1CCNB1 | |
| SCHEMBL29491163 | 0.85 | CDK4 (0.46) | CDK4CDK6CCND1CDK1CCNB1 | |
| SCHEMBL22650935 | 0.84 | CDK4 (0.44) | CDK4CDK6CCND1CDK1CCNB1 | |
| SCHEMBL29491142 | 0.84 | CDK4 (0.44) | CDK4CDK6CCND1CDK1CCNB1 | |
| SCHEMBL22635855 | 0.84 | CDK4 (0.44) | CDK4CDK6CCND1CDK1CCNB1 | |
| SCHEMBL22650933 | 0.84 | CDK4 (0.44) | CDK4CDK6CCND1CDK1CCNB1 | |
| SCHEMBL22650619 | 0.77 | CDK4 (0.40) | CDK4CDK6CCND1CDK1CCNB1 | |
| SCHEMBL22650780 | 0.77 | CDK4 (0.54) | CDK4CDK6CCND1CDK1CCNB1 | |
| SCHEMBL22650575 | 0.75 | CDK4 (0.57) | CDK4CDK6CCND1CDK1CCNB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114364675-A | CDK inhibitors | 上海齐鲁锐格医药研发有限公司 | 2022-04-15 | — | — | CN | disclosed |
| WO-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |