Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 20/20 | 0.68 |
| ▸ | CCND1 | P24385 | 19/20 | 0.68 |
| ▸ | CCND2 | P30279 | 16/20 | 0.68 |
| ▸ | CCND3 | P30281 | 16/20 | 0.68 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.56 |
| ▸ | CDK2 | P24941 | 2/20 | 0.56 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.56 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.56 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.56 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.56 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.56 |
| ▸ | STK16 | O75716 | 1/20 | 0.56 |
| ▸ | CCNK | O75909 | 1/20 | 0.56 |
| ▸ | PDE5A | O76074 | 1/20 | 0.56 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.56 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.56 |
| ▸ | PAK4 | O96013 | 1/20 | 0.56 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29615455 | 0.89 | CDK4 (0.75) | CDK4CCND1CCND2CCND3CDK6 | |
| SCHEMBL2074567 | 0.89 | CDK4 (0.75) | CDK4CCND1CCND2CCND3CDK6 | |
| SCHEMBL4828673 | 0.88 | CDK4 (0.71) | CDK4CCND1CCND2CCND3CDK6 | |
| SCHEMBL4825311 | 0.87 | CDK4 (0.68) | CDK4CCND1CCND2CCND3CDK6 | |
| SCHEMBL4835778 | 0.84 | CDK4 (0.71) | CDK4CCND1CCND2CCND3CDK6 | |
| SCHEMBL6223909 | 0.84 | CDK4 (0.69) | CDK4CCND1CCND2CCND3CDK6 | |
| SCHEMBL6225583 | 0.83 | CDK4 (0.66) | CDK4CCND1CCND2CCND3CDK6 | |
| SCHEMBL27667901 | 0.83 | CDK4 (0.75) | CDK4CCND1CCND2CCND3CDK6 | |
| SCHEMBL4830656 | 0.83 | CDK4 (0.88) | CDK4CCND1CCND2CCND3CDK6 | |
| SCHEMBL29507441 | 0.83 | CDK4 (0.88) | CDK4CCND1CCND2CCND3CDK6 |
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-2017045648-A1 | PREPARATION METHOD FOR DEUTERATED COMPOUND | 正大天晴药业集团股份有限公司 | 2017-03-23 | — | — | WO | disclosed |