Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 13/20 | 0.55 |
| ▸ | CDK5R1 | Q15078 | 13/20 | 0.55 |
| ▸ | CDK1 | P06493 | 8/20 | 0.55 |
| ▸ | CCNA2 | P20248 | 12/20 | 0.53 |
| ▸ | CDK2 | P24941 | 12/20 | 0.53 |
| ▸ | CCNA1 | P78396 | 12/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.53 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.53 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.53 |
| ▸ | INSR | P06213 | 2/20 | 0.53 |
| ▸ | PRKACA | P17612 | 2/20 | 0.53 |
| ▸ | PRKACG | P22612 | 2/20 | 0.53 |
| ▸ | PRKACB | P22694 | 2/20 | 0.53 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.53 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.53 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.53 |
| ▸ | NTRK2 | Q16620 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3446258 | 1.00 | CDK5 (0.55) | CDK5CDK5R1CDK1CCNA2CDK2 | |
| SCHEMBL3444523 | 0.93 | CDK5 (0.55) | CDK5CDK5R1CDK1CCNA2CDK2 | |
| SCHEMBL3444524 | 0.93 | CDK5 (0.55) | CDK5CDK5R1CDK1CCNA2CDK2 | |
| SCHEMBL3445572 | 0.91 | CDK5 (0.54) | CDK5CDK5R1CDK1CCNA2CDK2 | |
| SCHEMBL3445567 | 0.91 | CDK5 (0.54) | CDK5CDK5R1CDK1CCNA2CDK2 | |
| SCHEMBL3444414 | 0.88 | CDK5 (0.52) | CDK5CDK5R1CDK1CCNA2CDK2 | |
| SCHEMBL3444407 | 0.88 | CDK5 (0.52) | CDK5CDK5R1CDK1CCNA2CDK2 | |
| SCHEMBL3446513 | 0.88 | CDK5 (0.53) | CDK5CDK5R1CDK1CCNA2CDK2 | |
| SCHEMBL3446342 | 0.87 | CDK5 (0.73) | CDK5CDK5R1CDK1CCNA2CDK2 | |
| SCHEMBL3446334 | 0.87 | CDK5 (0.73) | CDK5CDK5R1CDK1CCNA2CDK2 |
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 |