Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 6/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.41 |
| ▸ | CDK2 | P24941 | 4/20 | 0.41 |
| ▸ | CDK1 | P06493 | 3/20 | 0.41 |
| ▸ | CDK7 | P50613 | 3/20 | 0.41 |
| ▸ | CDK9 | P50750 | 3/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CCND3 | P30281 | 4/20 | 0.37 |
| ▸ | HTR7 | P34969 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.37 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.37 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12696310 | 0.82 | FLT3 (0.43) | CDK4LMNAMAPTTP53HTR5A | |
| SCHEMBL22544270 | 0.79 | RAD52 (0.49) | DRD2DRD3LMNAMAPTTP53 | |
| SCHEMBL29591564 | 0.78 | CDK4 (0.40) | CDK4CDK6CDK2CDK1CDK7 | |
| Hydrochloric Acid SCHEMBL29591446 | 0.77 | CDK4 (0.40) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL18291660 | 0.77 | CDK4 (0.44) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL20038551 | 0.76 | CDK4 (0.42) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL28625493 | 0.75 | DRD2 (0.37) | DRD2DRD3MAPTTP53 | |
| SCHEMBL20203553 | 0.74 | CDK4 (0.48) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL20249391 | 0.74 | CDK4 (0.42) | CDK4CDK6CDK2CDK1CDK7 | |
| SCHEMBL12101137 | 0.74 | CYP2C9 (0.47) | DRD2DRD3LMNAMAPTALDH1A1 |
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 |