Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 13/20 | 0.84 |
| ▸ | CDK5R1 | Q15078 | 11/20 | 0.84 |
| ▸ | CDK1 | P06493 | 10/20 | 0.84 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.84 |
| ▸ | CCNA2 | P20248 | 6/20 | 0.84 |
| ▸ | CDK2 | P24941 | 6/20 | 0.84 |
| ▸ | CCNA1 | P78396 | 6/20 | 0.84 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.84 |
| ▸ | CCNB2 | O95067 | 3/20 | 0.84 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.84 |
| ▸ | CCNB3 | Q8WWL7 | 3/20 | 0.84 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.84 |
| ▸ | INSR | P06213 | 2/20 | 0.84 |
| ▸ | PRKACA | P17612 | 2/20 | 0.84 |
| ▸ | PRKACG | P22612 | 2/20 | 0.84 |
| ▸ | PRKACB | P22694 | 2/20 | 0.84 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.84 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.84 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.84 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.84 |
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 | |
|---|---|---|---|---|
| Purvalanol B SCHEMBL23509845 | 0.91 | CDK5 (1.00) | CDK5CDK5R1CDK1KDM4ECCNA2 | |
| Purvalanol B SCHEMBL6932922 | 0.91 | CDK5 (1.00) | CDK5CDK5R1CDK1KDM4ECCNA2 | |
| Purvalanol B SCHEMBL27951 | 0.91 | CDK5 (1.00) | CDK5CDK5R1CDK1KDM4ECCNA2 | |
| SCHEMBL569370 | 0.91 | CDK5 (0.81) | CDK5CDK5R1CDK1KDM4ECCNA2 | |
| Purvalanol B SCHEMBL29546074 | 0.91 | CDK5 (1.00) | CDK5CDK5R1CDK1KDM4ECCNA2 | |
| SCHEMBL6934099 | 0.86 | CDK5 (0.70) | CDK5CDK5R1CDK1KDM4ECCNA2 | |
| SCHEMBL569369 | 0.86 | CDK5 (0.70) | CDK5CDK5R1CDK1KDM4ECCNA2 | |
| SCHEMBL13498146 | 0.84 | CDK5 (0.87) | CDK5CDK5R1CDK1KDM4ECCNA2 | |
| SCHEMBL1325062 | 0.84 | CDK5 (0.70) | CDK5CDK5R1CDK1KDM4ECCNA2 | |
| SCHEMBL13497847 | 0.83 | CDK5 (0.86) | CDK5CDK5R1CDK1KDM4ECCNA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1891446-B1 | PROCESS FOR THE IDENTIFICATION OF NOVEL ENZYME INTERACTING COMPOUNDS | CELLZOME GMBH (DE) | 2013-04-10 | — | — | EP | disclosed |