Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 19/20 | 0.48 |
| ▸ | CDK4 | P11802 | 14/20 | 0.48 |
| ▸ | CDK2 | P24941 | 13/20 | 0.48 |
| ▸ | CCND3 | P30281 | 12/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 12/20 | 0.48 |
| ▸ | CDK1 | P06493 | 11/20 | 0.48 |
| ▸ | CCNE2 | O96020 | 8/20 | 0.48 |
| ▸ | CCND1 | P24385 | 7/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.46 |
| ▸ | CDK9 | P50750 | 3/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.46 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.46 |
| ▸ | CDK7 | P50613 | 2/20 | 0.46 |
| ▸ | CCNH | P51946 | 2/20 | 0.46 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.46 |
| ▸ | CIT | O14578 | 1/20 | 0.46 |
| ▸ | GAK | O14976 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19966656 | 0.89 | CDK6 (0.60) | CDK6CDK4CDK2CCND3CCNA2 | |
| SCHEMBL19966658 | 0.86 | CDK6 (0.64) | CDK6CDK4CDK2CCND3CCNA2 | |
| SCHEMBL19966332 | 0.85 | CDK6 (0.57) | CDK6CDK4CDK2CCND3CCNA2 | |
| SCHEMBL19966451 | 0.84 | CDK6 (0.64) | CDK6CDK4CDK2CCND3CCNA2 | |
| SCHEMBL19966325 | 0.83 | CDK6 (0.61) | CDK6CDK4CCND3CCND1PIM1 | |
| SCHEMBL19966655 | 0.82 | CDK6 (0.64) | CDK6CDK4CDK2CCND3CCNA2 | |
| SCHEMBL19966570 | 0.82 | CDK4 (0.65) | CDK6CDK4CDK2CCND3CCNA2 | |
| SCHEMBL19966567 | 0.81 | CDK6 (0.49) | CDK6CDK4CDK2CCND3CCNA2 | |
| SCHEMBL19966604 | 0.80 | CDK4 (0.49) | CDK6CDK4CDK2CCND3CCNA2 | |
| SCHEMBL19966659 | 0.79 | CDK4 (0.62) | CDK6CDK4CDK2CCND3CCNA2 |
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-2018045957-A1 | CDK4/6 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 江苏豪森药业集团有限公司 | 2018-03-15 | — | — | WO | disclosed |