Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 13/20 | 0.67 |
| ▸ | CDK2 | P24941 | 12/20 | 0.67 |
| ▸ | CDK5 | Q00535 | 11/20 | 0.67 |
| ▸ | CCNE1 | P24864 | 8/20 | 0.67 |
| ▸ | CCNB1 | P14635 | 7/20 | 0.67 |
| ▸ | CDK7 | P50613 | 6/20 | 0.67 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.67 |
| ▸ | CCNA2 | P20248 | 5/20 | 0.67 |
| ▸ | CCNA1 | P78396 | 5/20 | 0.67 |
| ▸ | CDK5R1 | Q15078 | 5/20 | 0.67 |
| ▸ | CDK9 | P50750 | 4/20 | 0.67 |
| ▸ | CCNK | O75909 | 4/20 | 0.67 |
| ▸ | CDK12 | Q9NYV4 | 4/20 | 0.67 |
| ▸ | CCNB2 | O95067 | 4/20 | 0.67 |
| ▸ | CDK4 | P11802 | 4/20 | 0.67 |
| ▸ | CCND1 | P24385 | 4/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.67 |
| ▸ | CCNH | P51946 | 4/20 | 0.67 |
| ▸ | CCNB3 | Q8WWL7 | 4/20 | 0.67 |
| ▸ | CSNK1D | P48730 | 2/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL19112201 | 1.00 | CDK1 (0.67) | CDK1CDK2CDK5CCNE1CCNB1 | |
| SCHEMBL19112159 | 0.94 | CDK1 (0.70) | CDK1CDK2CDK5CCNE1CCNB1 | |
| SCHEMBL30356164 | 0.94 | CDK1 (0.70) | CDK1CDK2CDK5CCNE1CCNB1 | |
| SCHEMBL34470227 | 0.94 | CDK1 (0.70) | CDK1CDK2CDK5CCNE1CCNB1 | |
| SCHEMBL19112165 | 0.94 | CDK1 (0.70) | CDK1CDK2CDK5CCNE1CCNB1 | |
| Hydrochloric Acid SCHEMBL30268952 | 0.93 | CDK1 (0.69) | CDK1CDK2CDK5CCNE1CCNB1 | |
| Hydrochloric Acid SCHEMBL23927314 | 0.93 | CDK1 (0.69) | CDK1CDK2CDK5CCNE1CCNB1 | |
| Hydrochloric Acid SCHEMBL23927312 | 0.93 | CDK1 (0.69) | CDK1CDK2CDK5CCNE1CCNB1 | |
| SCHEMBL23752348 | 0.88 | CDK1 (0.67) | CDK1CDK2CDK5CCNE1CCNB1 | |
| SCHEMBL19111944 | 0.88 | CDK1 (0.67) | CDK1CDK2CDK5CCNE1CCNB1 |
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-3901154-A1 | PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES | Commissariat à l'énergie atomique et aux énergies alternatives (FR) | 2021-10-27 | — | — | EP | disclosed |