Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 17/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 15/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601285 | 0.83 | ADORA2A (0.65) | ADORA2AADORA1HDAC1ADORA3ADORA2B | |
| SCHEMBL13601287 | 0.81 | ADORA2A (0.66) | ADORA2AADORA1HDAC1ADORA3ADORA2B | |
| SCHEMBL13601273 | 0.78 | ADORA2A (1.00) | ADORA2AADORA1ADORA3ADORA2BHSP90AA1 | |
| SCHEMBL4453248 | 0.78 | ADORA2A (0.48) | ADORA2AADORA1HDAC1GAAHSP90AA1 | |
| SCHEMBL13601278 | 0.77 | ADORA2A (0.67) | ADORA2AADORA1HDAC1ADORA3ADORA2B | |
| SCHEMBL20118840 | 0.77 | HSP90AA1 (0.63) | ADORA2AADORA1HDAC1GAAHSP90AA1 | |
| SCHEMBL13601224 | 0.76 | ADORA2A (0.81) | ADORA2AADORA1HDAC1 | |
| SCHEMBL29031953 | 0.71 | ADORA2A (0.52) | ADORA2AADORA1HDAC1HSP90AA1TRAP1 | |
| SCHEMBL24437456 | 0.70 | ADORA2A (0.70) | ADORA2AADORA1HDAC1 | |
| SCHEMBL29031957 | 0.68 | ADORA2A (0.69) | ADORA2AADORA1HDAC1 |
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 |