Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 2/20 | 0.50 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.50 |
| ▸ | CDK2 | P24941 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | PDE8A | O60658 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.41 |
| ▸ | PI4KA | P42356 | 2/20 | 0.41 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.41 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TMIGD3 | P0DMS9 | 2/20 | 0.38 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.38 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15354451 | 0.82 | CDK1 (0.73) | CDK1CCNB1CCNE1CDK2PDE8A | |
| SCHEMBL232387 | 0.79 | ADORA2A (0.62) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL24338022 | 0.78 | CDK1 (0.50) | CDK1CCNB1CCNE1CDK2PDE8A | |
| SCHEMBL179425 | 0.78 | PI4KA (0.63) | CDK1CCNB1CCNE1CDK2PDE8A | |
| SCHEMBL12769342 | 0.77 | ADORA2A (0.49) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL19553543 | 0.76 | ADORA2A (0.58) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL26218657 | 0.76 | ADORA2A (0.58) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL5731732 | 0.75 | PDE4A (0.66) | CDK1ADORA2AADORA1PI4KAPI4K2B | |
| SCHEMBL7626823 | 0.74 | CDK1 (0.44) | CDK1CCNB1CCNE1CDK2ADORA2A | |
| SCHEMBL22694586 | 0.74 | CDK1 (0.46) | CDK1CCNB1CCNE1CDK2HSP90AA1 |
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-2009082720-A2 | SUBSTITUTED 4-{3-[6-AMINO-9-(3,4-DIHYDROXY-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-2-YL]-PROP-2-YNYL}-PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS | PGX HEALTH, LLC (US) | 2009-07-02 | — | — | WO | disclosed |