Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK6 | Q00534 | 19/20 | 0.46 |
| ▸ | CDK4 | P11802 | 16/20 | 0.46 |
| ▸ | CCND3 | P30281 | 10/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 8/20 | 0.44 |
| ▸ | CCND1 | P24385 | 7/20 | 0.44 |
| ▸ | CDK2 | P24941 | 6/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 5/20 | 0.44 |
| ▸ | CDK9 | P50750 | 5/20 | 0.44 |
| ▸ | CDK7 | P50613 | 3/20 | 0.44 |
| ▸ | CCNH | P51946 | 3/20 | 0.44 |
| ▸ | MNAT1 | P51948 | 3/20 | 0.44 |
| ▸ | CDK1 | P06493 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22650845 | 0.94 | CDK6 (0.48) | CDK6CDK4CCND3CCNA2CCND1 | |
| SCHEMBL22650601 | 0.88 | CDK6 (0.48) | CDK6CDK4CCND3CCNA2CCND1 | |
| SCHEMBL22650486 | 0.87 | CDK6 (0.54) | CDK6CDK4CCND3CCNA2CCND1 | |
| SCHEMBL29491147 | 0.87 | CDK6 (0.54) | CDK6CDK4CCND3CCNA2CCND1 | |
| SCHEMBL22650593 | 0.85 | CDK6 (0.46) | CDK6CDK4CCND3CCNA2CCND1 | |
| SCHEMBL22650945 | 0.85 | CDK6 (0.60) | CDK6CDK4CCND3CCNA2CCND1 | |
| SCHEMBL22650864 | 0.85 | CDK6 (0.45) | CDK6CDK4CCND3CCNA2CCND1 | |
| SCHEMBL29491166 | 0.84 | CDK6 (0.55) | CDK6CDK4CCND3CCNA2CCND1 | |
| SCHEMBL22650490 | 0.84 | CDK6 (0.55) | CDK6CDK4CCND3CCNA2CCND1 | |
| SCHEMBL22650926 | 0.83 | CDK4 (0.48) | CDK6CDK4CCND3CCNA2CCND1 |
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-2020224568-A1 | CDK INHIBITORS | QILU REGOR THERAPEUTICS INC. (CN) | 2020-11-12 | — | — | WO | disclosed |