Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.77 |
| ▸ | ADORA1 | P30542 | 17/20 | 0.77 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL4452849 | 0.87 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4452802 | 0.87 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4455442 | 0.85 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4452013 | 0.84 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4449651 | 0.83 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL13601214 | 0.83 | ADORA2A (0.84) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4452866 | 0.83 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4455325 | 0.83 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4456961 | 0.82 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4449511 | 0.82 | ADORA2A (0.76) | 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 1 patent. 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 |