Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 0.56 |
| ▸ | CDK6 | Q00534 | 17/20 | 0.56 |
| ▸ | CDK2 | P24941 | 15/20 | 0.56 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.53 |
| ▸ | CDK1 | P06493 | 6/20 | 0.52 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.52 |
| ▸ | CCND3 | P30281 | 4/20 | 0.50 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.50 |
| ▸ | CDK7 | P50613 | 4/20 | 0.49 |
| ▸ | CDK9 | P50750 | 4/20 | 0.49 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.49 |
| ▸ | CCND1 | P24385 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL18288744 | 0.99 | CDK4 (0.55) | CDK4CDK6CDK2CCNE1CDK1 | |
| SCHEMBL18288760 | 0.97 | CDK4 (0.55) | CDK4CDK6CDK2CCNE1CDK1 | |
| SCHEMBL18288742 | 0.86 | CDK4 (0.45) | CDK4CDK6CDK2CCNE1CDK1 | |
| SCHEMBL19089070 | 0.86 | CDK4 (0.55) | CDK4CDK6CDK2CCNE1CDK1 | |
| SCHEMBL18288992 | 0.85 | CDK4 (0.56) | CDK4CDK6CDK2CCNE1CDK1 | |
| SCHEMBL15252502 | 0.81 | CDK4 (0.54) | CDK4CDK6CDK2CCNE1CDK1 | |
| SCHEMBL31066374 | 0.81 | CDK4 (0.54) | CDK4CDK6CDK2CCNE1CDK1 | |
| SCHEMBL18288796 | 0.78 | CDK4 (0.56) | CDK4CDK6CDK2CCNE1CDK1 | |
| SCHEMBL18823109 | 0.77 | CDK4 (0.56) | CDK4CDK6CDK2CCNE1CDK1 | |
| SCHEMBL4246503 | 0.77 | ALDH1A1 (0.38) | CDK4CDK6CDK2CCNE1CDK9 |
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-2016192630-A1 | COMPOUND HAVING KINASE INHIBITING ACTIVITY, METHOD OF PREPARING SAME, AND USE OF SAME | 中国科学院上海药物研究所 | 2016-12-08 | — | — | WO | disclosed |