Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 16/20 | 0.53 |
| ▸ | CCNE1 | P24864 | 14/20 | 0.53 |
| ▸ | CDK1 | P06493 | 7/20 | 0.51 |
| ▸ | CCNB1 | P14635 | 6/20 | 0.51 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.51 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.51 |
| ▸ | CDK5 | Q00535 | 13/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.49 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.49 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.46 |
| ▸ | CDK9 | P50750 | 4/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 3/20 | 0.46 |
| ▸ | CDK7 | P50613 | 3/20 | 0.46 |
| ▸ | CCNH | P51946 | 2/20 | 0.46 |
| ▸ | CDK4 | P11802 | 3/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.45 |
| ▸ | CCND1 | P24385 | 3/20 | 0.45 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3717319 | 0.86 | CDK2 (0.69) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL2904692 | 0.84 | CDK1 (0.65) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL30332119 | 0.81 | CDK2 (0.48) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL3716186 | 0.81 | CDK2 (0.60) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL3714904 | 0.81 | ADORA3 (0.41) | CDK1CCNB1CCNB2CCNB3ADORA3 | |
| SCHEMBL30332492 | 0.79 | CDK2 (0.46) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL3723172 | 0.76 | CDK2 (0.55) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL3725146 | 0.76 | CDK2 (0.79) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL30332415 | 0.75 | CCNE1 (0.44) | CDK2CCNE1CDK1CCNB1CCNB2 | |
| SCHEMBL3719061 | 0.74 | CDK2 (0.59) | CDK2CCNE1CDK1CCNB1CCNB2 |
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 |