Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 3/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.39 |
| ▸ | CDK2 | P24941 | 3/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13407530 | 0.81 | HTR2A (0.39) | CHEK1CCNA2CDK2CCNA1HTR2A | |
| SCHEMBL3581077 | 0.73 | MAPK11 (0.47) | CHEK1CCNA2CDK2CCNA1HTR2A | |
| SCHEMBL3581075 | 0.73 | MAPK11 (0.47) | CHEK1CCNA2CDK2CCNA1HTR2A | |
| SCHEMBL3583291 | 0.71 | ACP1 (0.41) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL3583286 | 0.71 | ACP1 (0.41) | CHEK1CCNA2CDK2CCNA1 | |
| Hydrochloric Acid SCHEMBL4599388 | 0.70 | ACP1 (0.40) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL20028885 | 0.70 | CHEK1 (0.43) | CHEK1CCNA2CDK2CCNA1HTR2A | |
| SCHEMBL3582287 | 0.70 | MPO (0.40) | CHEK1CCNA2CDK2CCNA1HTR2A | |
| SCHEMBL3582283 | 0.70 | MPO (0.40) | CHEK1CCNA2CDK2CCNA1HTR2A | |
| SCHEMBL30586799 | 0.70 | NOTUM (0.39) | CHEK1CCNA2CDK2CCNA1HTR2A |
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-3030233-B1 | OXAZOLE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2019-10-09 | — | — | EP | disclosed |