Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 4/20 | 0.36 |
| ▸ | KDR | P35968 | 3/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 2/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 5/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.31 |
| ▸ | CDK9 | P50750 | 2/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 1/20 | 0.31 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 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 | |
|---|---|---|---|---|
| SCHEMBL2540599 | 0.68 | MAPK14 (0.57) | MAPK13MAPK12MAPK11MAPK14LRRK2 | |
| SCHEMBL13523666 | 0.67 | KDM4E (0.41) | CDK1KDRLRRK2AURKACCNT1 | |
| SCHEMBL4769052 | 0.66 | CSNK1A1 (0.44) | ARNUDT1 | |
| SCHEMBL29314042 | 0.66 | NUDT1 (0.45) | CDK1KDRLRRK2AURKANUDT1 | |
| SCHEMBL25598891 | 0.66 | CSNK1A1 (0.42) | CDK1KDRLRRK2AURKACCNT1 | |
| SCHEMBL29313773 | 0.64 | CCNA2 (0.46) | CDK1KDRLRRK2AURKACDK2 | |
| SCHEMBL25597187 | 0.63 | IDH1 (0.45) | CDK1KDRLRRK2 | |
| SCHEMBL29313462 | 0.62 | LRRK2 (0.39) | LRRK2AURKACHEK1 | |
| SCHEMBL13587064 | 0.62 | AURKA (0.37) | CDK1KDRLRRK2AURKACCNT1 | |
| SCHEMBL29313821 | 0.62 | PLK1 (0.39) | KDRPLK1LRRK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3782986-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2024-07-10 | — | — | EP | disclosed |