Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 19/20 | 0.60 |
| ▸ | CDK2 | P24941 | 9/20 | 0.60 |
| ▸ | CDK1 | P06493 | 5/20 | 0.60 |
| ▸ | CCND3 | P30281 | 5/20 | 0.60 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.60 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.60 |
| ▸ | KDR | P35968 | 1/20 | 0.60 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.58 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.58 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.58 |
| ▸ | CDK6 | Q00534 | 14/20 | 0.56 |
| ▸ | CDK9 | P50750 | 2/20 | 0.55 |
| ▸ | CCND1 | P24385 | 4/20 | 0.55 |
| ▸ | CSF1R | P07333 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | CDK7 | P50613 | 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 | |
|---|---|---|---|---|
| SCHEMBL22172243 | 0.92 | CDK4 (0.62) | CDK4CDK2CDK1CCND3CCNB1 | |
| SCHEMBL28703105 | 0.92 | CDK4 (0.59) | CDK4CDK2CDK1CCND3CCNB1 | |
| SCHEMBL22172176 | 0.90 | CDK4 (0.67) | CDK4CDK2CDK1CCND3CCNB1 | |
| SCHEMBL22172186 | 0.90 | CDK4 (0.61) | CDK4CDK2CDK1CCND3CCNB1 | |
| SCHEMBL28702269 | 0.90 | CDK4 (0.60) | CDK4CDK2CDK1CCND3CCNB1 | |
| SCHEMBL22172189 | 0.84 | CDK4 (0.65) | CDK4CDK2CDK1CCND3CCNB1 | |
| SCHEMBL28709613 | 0.84 | CDK4 (0.53) | CDK4CDK2CDK1CCND3CCNB1 | |
| SCHEMBL22163901 | 0.83 | CDK4 (0.63) | CDK4CDK2CDK1CCND3CCNB1 | |
| SCHEMBL30725830 | 0.82 | CDK4 (0.66) | CDK4CDK2CDK1CCND3CCNB1 | |
| SCHEMBL28697717 | 0.82 | CDK4 (0.66) | CDK4CDK2CDK1CCND3CCNB1 |
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-113880816-A | Piperazine-containing aminopyrimidine derivative and application thereof | 杭州百诚医药科技股份有限公司 | 2022-01-04 | — | — | CN | disclosed |