Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 17/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | CDK6 | Q00534 | 10/20 | 0.51 |
| ▸ | CCND1 | P24385 | 8/20 | 0.51 |
| ▸ | CCND3 | P30281 | 5/20 | 0.51 |
| ▸ | CDK1 | P06493 | 9/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 7/20 | 0.41 |
| ▸ | CDK2 | P24941 | 6/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 3/20 | 0.39 |
| ▸ | CDK9 | P50750 | 3/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.38 |
| ▸ | CLK1 | P49759 | 2/20 | 0.38 |
| ▸ | CLK2 | P49760 | 2/20 | 0.38 |
| ▸ | CLK3 | P49761 | 2/20 | 0.38 |
| ▸ | GSK3B | P49841 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22172304 | 1.00 | CDK4 (0.51) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL30455830 | 0.86 | CDK4 (0.51) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL22163943 | 0.85 | CDK4 (0.40) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL2514899 | 0.82 | CDK4 (0.55) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL19231754 | 0.82 | CDK4 (0.42) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL29669654 | 0.82 | CDK4 (0.55) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL21522790 | 0.81 | CDK4 (0.54) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL22164023 | 0.79 | CYP11B2 (0.45) | CDK4CDK6CDK2CYP11B1CYP11B2 | |
| SCHEMBL29856100 | 0.79 | CDK4 (0.44) | CDK4HDAC1CDK6CCND1CCND3 | |
| SCHEMBL15252527 | 0.77 | CDK9 (0.51) | CDK4CDK6CCND1CCND3CDK1 |
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-111377907-B | Polysubstituted phenylamino pyrimidine derivative and preparation method and application thereof | 杭州百新生物医药科技有限公司 | 2023-03-28 | — | — | CN | disclosed |