Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 16/20 | 0.65 |
| ▸ | ADORA2A | P29274 | 16/20 | 0.65 |
| ▸ | ADORA1 | P30542 | 16/20 | 0.65 |
| ▸ | ADORA2B | P29275 | 13/20 | 0.65 |
| ▸ | NT5E | P21589 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2805185 | 1.00 | ADORA3 (0.65) | ADORA3ADORA2AADORA1ADORA2BNT5E | |
| SCHEMBL2808440 | 0.95 | ADORA3 (0.61) | ADORA3ADORA2AADORA1ADORA2BNT5E | |
| SCHEMBL1415376 | 0.92 | ADORA3 (0.75) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL1415378 | 0.92 | ADORA3 (0.75) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL3906064 | 0.92 | ADORA3 (0.75) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL4229401 | 0.87 | ADORA3 (0.72) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL2807734 | 0.87 | ADORA3 (0.72) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL4227112 | 0.86 | ADORA3 (0.70) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL2806262 | 0.85 | ADORA1 (0.71) | ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL7089191 | 0.85 | ADORA2A (0.68) | ADORA3ADORA2AADORA1ADORA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044070-A1 | PURINE DERIVATIVES AS A2A AGONISTS | Novartis AG (CH) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008006563-A1 | PURINE DERIVATIVES AS A2A AGONISTS | NOVARTIS AG (CH) | 2008-01-17 | — | — | WO | disclosed |