Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 18/20 | 0.51 |
| ▸ | CCNE1 | P24864 | 17/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 14/20 | 0.49 |
| ▸ | CDK9 | P50750 | 7/20 | 0.47 |
| ▸ | CCNT1 | O60563 | 6/20 | 0.47 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.47 |
| ▸ | CCNT2 | O60583 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.46 |
| ▸ | CDK1 | P06493 | 3/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.45 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 6/20 | 0.45 |
| ▸ | CDK7 | P50613 | 5/20 | 0.45 |
| ▸ | CCNH | P51946 | 4/20 | 0.45 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.42 |
| ▸ | TACR2 | P21452 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3718690 | 0.89 | CDK2 (0.51) | CDK2CCNE1CDK5CDK9CCNT1 | |
| SCHEMBL3720174 | 0.86 | CDK2 (0.62) | CDK2CCNE1CDK5CDK9CCNT1 | |
| SCHEMBL3724487 | 0.85 | CDK2 (0.47) | CDK2CCNE1CDK5CDK9CCNT1 | |
| SCHEMBL3726416 | 0.84 | CDK2 (0.56) | CDK2CCNE1CDK5CDK9CCNT1 | |
| SCHEMBL3719061 | 0.83 | CDK2 (0.59) | CDK2CCNE1CDK5CDK9CCNT1 | |
| SCHEMBL3721957 | 0.81 | CDK2 (0.52) | CDK2CCNE1CDK5CDK9CCNT1 | |
| SCHEMBL3719454 | 0.80 | CDK2 (0.74) | CDK2CCNE1CDK5CDK9CCNT1 | |
| SCHEMBL3714764 | 0.80 | CDK2 (0.58) | CDK2CCNE1CDK5CDK9CCNT1 | |
| SCHEMBL3716186 | 0.80 | CDK2 (0.60) | CDK2CCNE1CDK5CDK9CCNT1 | |
| SCHEMBL2910732 | 0.80 | CDK2 (0.67) | CDK2CCNE1CDK5CDK9CCNT1 |
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 |