Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 6/20 | 0.47 |
| ▸ | CDK2 | P24941 | 6/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.44 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 4/20 | 0.39 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.39 |
| ▸ | CDK7 | P50613 | 2/20 | 0.39 |
| ▸ | CDK9 | P50750 | 2/20 | 0.39 |
| ▸ | CCNH | P51946 | 2/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3714904 | 0.87 | ADORA3 (0.41) | CYP3A4CYP2C19HSD17B10CDK1CCNB2 | |
| SCHEMBL2904694 | 0.85 | CDK1 (0.53) | CCNE1CDK2CDK5CDK1CCNT1 | |
| SCHEMBL3798223 | 0.83 | CDK2 (0.53) | CCNE1CDK2CDK5AURKACCNE2 | |
| SCHEMBL3719455 | 0.81 | CDK2 (0.52) | CCNE1CDK2CDK5AURKACCNE2 | |
| SCHEMBL3717319 | 0.81 | CDK2 (0.69) | CCNE1CDK2CDK5AURKACCNE2 | |
| SCHEMBL25022481 | 0.80 | CDK2 (0.40) | CCNE1CDK2CDK1CCNT1CDK7 | |
| SCHEMBL3793236 | 0.78 | CDK2 (0.57) | CCNE1CDK2CDK5AURKACCNE2 | |
| SCHEMBL3719462 | 0.77 | CDK2 (0.58) | CCNE1CDK2CDK5AURKACCNE2 | |
| SCHEMBL3723174 | 0.77 | CDK1 (0.45) | CCNE1CDK2CDK5CDK1CCNT1 | |
| SCHEMBL3719064 | 0.74 | CYP3A4 (0.43) | CCNE1CDK2CDK5AURKACCNE2 |
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-2010139288-A1 | 5,7-DISUBSTITUTED 3-ISOPROPYLPYRAZOLO[4,3-D]PYRIMIDINES FOR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS | C3 BIO GMBH (DE) | 2010-12-09 | — | — | WO | disclosed |