Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 16/20 | 0.79 |
| ▸ | CCND1 | P24385 | 10/20 | 0.79 |
| ▸ | CDK6 | Q00534 | 10/20 | 0.79 |
| ▸ | CCND3 | P30281 | 9/20 | 0.79 |
| ▸ | CDK2 | P24941 | 15/20 | 0.70 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.70 |
| ▸ | CDK9 | P50750 | 14/20 | 0.68 |
| ▸ | CDK7 | P50613 | 11/20 | 0.68 |
| ▸ | CDK1 | P06493 | 10/20 | 0.68 |
| ▸ | CCNT1 | O60563 | 8/20 | 0.68 |
| ▸ | CCNH | P51946 | 7/20 | 0.68 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.68 |
| ▸ | AURKA | O14965 | 8/20 | 0.65 |
| ▸ | AURKB | Q96GD4 | 8/20 | 0.65 |
| ▸ | WEE1 | P30291 | 5/20 | 0.64 |
| ▸ | ALK | Q9UM73 | 4/20 | 0.64 |
| ▸ | FLT3 | P36888 | 4/20 | 0.64 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.64 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.64 |
| ▸ | DAPK3 | O43293 | 3/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL18454512 | 0.88 | CDK4 (1.00) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL30777177 | 0.88 | CDK4 (1.00) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL28629230 | 0.88 | CDK4 (1.00) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL4166357 | 0.85 | CDK2 (0.84) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL4163444 | 0.84 | CDK2 (0.82) | CDK4CDK6CDK2CDK9CDK7 | |
| SCHEMBL28401819 | 0.83 | CDK4 (0.64) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL4165439 | 0.83 | CDK2 (0.84) | CDK4CDK6CDK2CDK9CDK7 | |
| SCHEMBL18453967 | 0.82 | CDK4 (1.00) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL29815919 | 0.82 | CDK4 (1.00) | CDK4CCND1CDK6CCND3CDK2 | |
| SCHEMBL4167448 | 0.82 | CDK2 (0.83) | CDK4CDK6CDK2CDK9CDK7 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111039941-B | Nitrogen-containing heterocyclic compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2023-03-21 | — | — | CN | disclosed |