Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.65 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL4458505 | 0.89 | ADORA2A (0.64) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4452428 | 0.87 | ADORA2A (0.67) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4455760 | 0.86 | ADORA2A (0.71) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4043924 | 0.84 | ADORA2A (0.65) | ADORA2AADORA1 | |
| SCHEMBL4453241 | 0.81 | ADORA2A (0.61) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4453263 | 0.81 | ADORA2A (0.65) | ADORA2AADORA1HDAC1 | |
| SCHEMBL3269889 | 0.80 | ADORA2A (0.65) | ADORA2AADORA1 | |
| SCHEMBL4452578 | 0.80 | ADORA2A (0.70) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4452849 | 0.79 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4457055 | 0.79 | ADORA2A (0.67) | 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 |