Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 15/20 | 0.62 |
| ▸ | CCNE1 | P24864 | 13/20 | 0.62 |
| ▸ | CDK5 | Q00535 | 6/20 | 0.62 |
| ▸ | CCNE2 | O96020 | 4/20 | 0.62 |
| ▸ | AURKA | O14965 | 1/20 | 0.62 |
| ▸ | CDK1 | P06493 | 9/20 | 0.57 |
| ▸ | CDK9 | P50750 | 6/20 | 0.57 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.57 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.57 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.57 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.57 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.57 |
| ▸ | CCNB3 | Q8WWL7 | 2/20 | 0.57 |
| ▸ | CDK7 | P50613 | 5/20 | 0.53 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.53 |
| ▸ | CCNH | P51946 | 3/20 | 0.53 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.53 |
| ▸ | CCNK | O75909 | 3/20 | 0.53 |
| ▸ | CDK12 | Q9NYV4 | 3/20 | 0.53 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL3445165 | 0.89 | CDK2 (0.61) | CDK2CCNE1CDK5CCNE2AURKA | |
| SCHEMBL3446345 | 0.88 | CDK1 (0.57) | CDK2CCNE1CDK5CCNE2AURKA | |
| SCHEMBL3446343 | 0.88 | CDK1 (0.57) | CDK2CCNE1CDK5CCNE2AURKA | |
| SCHEMBL3445275 | 0.88 | CDK2 (0.63) | CDK2CCNE1CDK5CCNE2AURKA | |
| SCHEMBL3444679 | 0.87 | CDK1 (0.69) | CDK2CCNE1CDK5CCNE2CDK1 | |
| SCHEMBL3445122 | 0.87 | CDK1 (0.69) | CDK2CCNE1CDK5CCNE2CDK1 | |
| SCHEMBL3446103 | 0.86 | CDK1 (0.51) | CDK2CCNE1CDK5CCNE2AURKA | |
| SCHEMBL3444622 | 0.84 | CDK2 (0.53) | CDK2CCNE1CDK5CCNE2AURKA | |
| SCHEMBL1352423 | 0.83 | CDK2 (0.81) | CDK2CCNE1CDK5CCNE2CDK1 | |
| SCHEMBL3444830 | 0.83 | CDK2 (0.73) | CDK2CCNE1CDK5CCNE2CDK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7816350-B2 | Substituted [1,2,3] triazolo[4,5-D]pyrimidines as cdk inhibitors | INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) | 2010-10-19 | — | — | US | claimed |