Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 6/20 | 0.77 |
| ▸ | CDK9 | P50750 | 6/20 | 0.77 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.77 |
| ▸ | CDK2 | P24941 | 4/20 | 0.77 |
| ▸ | CDK4 | P11802 | 2/20 | 0.77 |
| ▸ | CCND1 | P24385 | 2/20 | 0.77 |
| ▸ | CDK7 | P50613 | 2/20 | 0.77 |
| ▸ | CCNH | P51946 | 2/20 | 0.77 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.77 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.77 |
| ▸ | USP8 | P40818 | 9/20 | 0.64 |
| ▸ | APP | P05067 | 2/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | PLK1 | P53350 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22667394 | 0.87 | CCNT1 (0.84) | CCNT1CDK9CCNA2CDK2CDK4 | |
| SCHEMBL22667258 | 0.87 | CCNT1 (1.00) | CCNT1CDK9CCNA2CDK2CDK4 | |
| SCHEMBL22667441 | 0.87 | CCNT1 (0.83) | CCNT1CDK9CCNA2CDK2CDK4 | |
| SCHEMBL22667374 | 0.87 | CCNT1 (0.83) | CCNT1CDK9CCNA2CDK2CDK4 | |
| SCHEMBL22667232 | 0.85 | CCNT1 (0.78) | CCNT1CDK9CCNA2CDK2CDK4 | |
| SCHEMBL22667451 | 0.85 | CCNT1 (0.80) | CCNT1CDK9CCNA2CDK2CDK4 | |
| SCHEMBL22667346 | 0.85 | CCNT1 (0.72) | CCNT1CDK9CCNA2CDK2CDK4 | |
| SCHEMBL22667227 | 0.82 | CCNT1 (0.91) | CCNT1CDK9CCNA2CDK2CDK4 | |
| SCHEMBL22667241 | 0.79 | CCNT1 (0.82) | CCNT1CDK9CCNA2CDK2CDK4 | |
| SCHEMBL22667248 | 0.79 | USP8 (1.00) | CCNT1CDK9CCNA2CDK2CDK4 |
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-2020228513-A1 | NOVEL CDK9 INHIBITOR BASED ON BENZOPYRAN STRUCTURE, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国药科大学 | 2020-11-19 | — | — | WO | disclosed |