Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 2/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.48 |
| ▸ | CDK2 | P24941 | 2/20 | 0.48 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14541357 | 0.77 | CHEK1 (0.74) | CHEK1CCNA2CDK2CCNA1GSK3B | |
| SCHEMBL15381902 | 0.74 | CHEK1 (0.69) | CHEK1CCNA2CDK2CCNA1 | |
| SCHEMBL14413470 | 0.73 | GSK3B (0.33) | CHEK1CCNA2CDK2CCNA1GSK3B | |
| SCHEMBL18115238 | 0.68 | SLC6A3 (0.46) | — | |
| SCHEMBL1442814 | 0.67 | SLC6A3 (0.45) | — | |
| SCHEMBL3319549 | 0.67 | PDE10A (0.43) | CHEK1CCNA2CDK2CCNA1GSK3B | |
| SCHEMBL28834106 | 0.66 | SLC6A3 (0.44) | — | |
| SCHEMBL18398975 | 0.66 | SLC6A3 (0.44) | — | |
| SCHEMBL31224477 | 0.66 | SLC6A3 (0.59) | — | |
| SCHEMBL12953337 | 0.66 | CDK2 (0.37) | CHEK1CCNA2CDK2CCNA1GSK3B |
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-1931677-B1 | NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2016-04-20 | — | — | EP | disclosed |