Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20356533 | 0.82 | HTR1A (0.33) | — | |
| SCHEMBL20356534 | 0.70 | CDK6 (0.37) | CDK4CCND1CDK6 | |
| SCHEMBL29592215 | 0.70 | CDK6 (0.37) | CDK4CCND1CDK6 | |
| SCHEMBL20356531 | 0.69 | TYMS (0.34) | — | |
| SCHEMBL18081416 | 0.67 | LMNA (0.37) | CDK4CCND1CDK6 | |
| SCHEMBL19836555 | 0.63 | NPC1 (0.38) | CDK4CCND1CDK6 | |
| SCHEMBL17459798 | 0.63 | HTT (0.42) | CDK4CCND1CDK6 | |
| SCHEMBL21736958 | 0.62 | — | — | |
| SCHEMBL23068096 | 0.62 | SLC2A1 (0.34) | CDK4CCND1 | |
| SCHEMBL23996985 | 0.62 | ESR1 (0.38) | CDK4CCND1CDK6 |
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-2018121766-A1 | NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITION, AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2018-07-05 | — | — | WO | disclosed |