Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 18/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 12/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL716555 | 0.86 | ADORA2A (0.64) | ADORA2AADORA1ADORA2BADORA3 | |
| Bromide SCHEMBL382081 | 0.85 | ADORA2A (0.62) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL381750 | 0.82 | ADORA2A (0.46) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL380977 | 0.77 | ADORA2A (0.63) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL715214 | 0.70 | ADORA2A (0.64) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL410290 | 0.66 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL410309 | 0.66 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL409997 | 0.66 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL13233223 | 0.63 | ADORA2A (0.56) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL380389 | 0.62 | ADORA2A (0.57) | ADORA2AADORA1ADORA2B |
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-2408775-A1 | OXIDATED DERIVATIVES OF TRIAZOLYPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS | SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) | 2012-01-25 | — | — | EP | disclosed |
| WO-2010106145-A1 | OXIDATED DERIVATIVES OF TRIAZOLYPURINES USEFUL AS LIGANDS OF THE ADENOSINE A2A RECEPTOR AND THEIR USE AS MEDICAMENTS | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2010-09-23 | — | — | WO | disclosed |