Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.60 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.58 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.52 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL12927113 | 1.00 | ADORA2A (0.60) | ADORA2AADORA3ADORA1ADORA2BHSP90B1 | |
| SCHEMBL12009350 | 0.99 | ADORA2A (0.58) | ADORA2AADORA3ADORA1ADORA2BHSP90B1 | |
| SCHEMBL12927107 | 0.99 | ADORA2A (0.58) | ADORA2AADORA3ADORA1ADORA2BHSP90B1 | |
| SCHEMBL12009344 | 0.97 | ADORA2A (0.59) | ADORA2AADORA3ADORA1ADORA2BHSP90B1 | |
| SCHEMBL12927108 | 0.97 | ADORA2A (0.59) | ADORA2AADORA3ADORA1ADORA2BHSP90B1 | |
| SCHEMBL13473666 | 0.94 | ADORA2A (0.59) | ADORA2AADORA3ADORA1ADORA2BHSP90B1 | |
| SCHEMBL13472257 | 0.93 | ADORA2A (0.56) | ADORA2AADORA3ADORA1ADORA2BHSP90B1 | |
| SCHEMBL12009367 | 0.93 | ADORA2A (0.56) | ADORA2AADORA3ADORA1ADORA2BHSP90B1 | |
| SCHEMBL12952374 | 0.93 | ADORA2A (0.61) | ADORA2AADORA3ADORA1ADORA2BHSP90B1 | |
| SCHEMBL12952072 | 0.93 | ADORA2A (0.61) | ADORA2AADORA3ADORA1ADORA2BHSP90B1 |
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-8252767-B2 | 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 | DOGWOOD PHARMACEUTICALS, INC. (US) | 2012-08-28 | — | — | US | disclosed |