Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 1.00 |
| ▸ | ADORA1 | P30542 | 18/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.68 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.68 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.45 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13707353 | 0.81 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL4459520 | 0.81 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2BHSP90AA1 | |
| SCHEMBL4462218 | 0.80 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2BHSP90AA1 | |
| SCHEMBL4455173 | 0.79 | ADORA2A (0.70) | ADORA2AADORA1ADORA3ADORA2BHSP90AA1 | |
| SCHEMBL13601285 | 0.79 | ADORA2A (0.65) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL13601265 | 0.78 | ADORA2A (0.64) | ADORA2AADORA1ADORA3ADORA2BHSP90AA1 | |
| SCHEMBL4462290 | 0.78 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2BHSP90AA1 | |
| SCHEMBL4459559 | 0.78 | ADORA2A (0.66) | ADORA2AADORA1ADORA3ADORA2BHSP90AA1 | |
| SCHEMBL13601270 | 0.78 | ADORA2A (0.71) | ADORA2AADORA1ADORA3ADORA2BHSP90AA1 | |
| SCHEMBL4450557 | 0.77 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-7629349-B2 | Pyrazolo [3,4-d] pyrimidine derivatives and their use as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2009-12-08 | — | — | US | disclosed |
| US-7629349-B2 | Pyrazolo [3,4-d] pyrimidine derivatives and their use as purinergic receptor antagonists | VERNALIS RESEARCH LIMITED (GB) | 2009-12-08 | — | — | US | disclosed |