Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 0.66 |
| ▸ | ADORA1 | P30542 | 16/20 | 0.66 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601283 | 0.86 | ADORA2A (0.62) | ADORA2AADORA1ADORA2BADORA3HDAC1 | |
| SCHEMBL4457174 | 0.82 | ADORA2A (0.69) | ADORA2AADORA1ADORA2BADORA3HDAC1 | |
| SCHEMBL13601278 | 0.81 | ADORA2A (0.67) | ADORA2AADORA1ADORA2BADORA3PAX8 | |
| SCHEMBL4457050 | 0.81 | ADORA2A (0.67) | ADORA2AADORA1ADORA2BADORA3PAX8 | |
| SCHEMBL4452866 | 0.80 | ADORA2A (1.00) | ADORA2AADORA1ADORA2BADORA3HDAC1 | |
| SCHEMBL4453233 | 0.78 | ADORA2A (0.66) | ADORA2AADORA1ADORA2BADORA3PAX8 | |
| SCHEMBL13601270 | 0.74 | ADORA2A (0.71) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL2990319 | 0.69 | ADORA2A (0.73) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL23388427 | 0.69 | ADORA2A (0.61) | ADORA2AADORA1ADORA2BADORA3HDAC1 | |
| SCHEMBL29944253 | 0.69 | ADORA2A (0.61) | ADORA2AADORA1ADORA2BADORA3HDAC1 |
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 |