Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.45 |
| ▸ | CDK2 | P24941 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 8/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.37 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.37 |
| ▸ | AHCY | P23526 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19503305 | 1.00 | CDK1 (0.45) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL21257340 | 0.83 | CDK1 (0.51) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL29388366 | 0.81 | CDK1 (0.67) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL19553855 | 0.79 | ADORA2A (0.53) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL13952171 | 0.79 | ADORA2A (0.63) | ADORA2AADORA1ADORA2BPI4KAPI4K2B | |
| SCHEMBL29318893 | 0.78 | CDK1 (0.41) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL5930210 | 0.77 | CCNE1 (0.61) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL8421106 | 0.73 | HPRT1 (0.42) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL11251829 | 0.72 | PNP (0.56) | CDK1CCNB1CCNE1CDK2 | |
| Phosphoric Acid SCHEMBL9824087 | 0.72 | CDK1 (0.55) | CDK1CCNB1CCNE1CDK2ADORA2A |
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-2017185061-A1 | COMPOUNDS AND METHODS FOR TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS | ASTROCYTE PHARMACEUTICALS, INC. (US) | 2017-10-26 | — | — | WO | disclosed |