Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 13/20 | 0.61 |
| ▸ | CDK4 | P11802 | 12/20 | 0.61 |
| ▸ | CCND1 | P24385 | 11/20 | 0.61 |
| ▸ | CDK9 | P50750 | 9/20 | 0.59 |
| ▸ | CCNT1 | O60563 | 8/20 | 0.59 |
| ▸ | CDK2 | P24941 | 4/20 | 0.59 |
| ▸ | CDK1 | P06493 | 4/20 | 0.59 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.59 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.59 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.59 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.59 |
| ▸ | CCND3 | P30281 | 3/20 | 0.44 |
| ▸ | CDK8 | P49336 | 3/20 | 0.42 |
| ▸ | CCNC | P24863 | 2/20 | 0.42 |
| ▸ | CDK7 | P50613 | 2/20 | 0.42 |
| ▸ | CCNH | P51946 | 2/20 | 0.42 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21345115 | 0.88 | CDK6 (0.61) | CDK6CDK4CCND1CDK9CCNT1 | |
| SCHEMBL24304984 | 0.82 | CDK4 (0.55) | CDK6CDK4CCND1CDK9CCNT1 | |
| SCHEMBL17469717 | 0.81 | CDK4 (0.54) | CDK6CDK4CCND1CDK9CCNT1 | |
| SCHEMBL17459809 | 0.81 | CDK6 (0.54) | CDK6CDK4CCND1CDK9CCNT1 | |
| SCHEMBL18081420 | 0.81 | CDK4 (0.54) | CDK6CDK4CCND1CDK9CCNT1 | |
| SCHEMBL28434216 | 0.79 | CDK6 (0.68) | CDK6CDK4CCND1CDK9CCNT1 | |
| SCHEMBL18081391 | 0.77 | CDK6 (1.00) | CDK6CDK4CCND1CDK9CCNT1 | |
| SCHEMBL18081363 | 0.75 | CDK6 (0.68) | CDK6CDK4CCND1CDK9CCNT1 | |
| SCHEMBL21331753 | 0.75 | CDK4 (0.63) | CDK6CDK4CCND1CDK9CCNT1 | |
| Culmerciclib SCHEMBL31106291 | 0.75 | CDK6 (1.00) | CDK6CDK4CCND1CDK9CCNT1 |
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-2019170055-A1 | COMPOUNDS HAVING CDK4/6 KINASE INHIBITORY ACTIVITY, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 上海海和药物研究开发有限公司 | 2019-09-12 | — | — | WO | disclosed |