Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.64 |
| ▸ | ADORA1 | P30542 | 15/20 | 0.64 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL13601271 | 0.92 | ADORA2A (0.51) | ADORA2AADORA1HDAC1HDAC3ADORA2B | |
| SCHEMBL4464120 | 0.82 | ADORA2A (0.61) | ADORA2AADORA1HDAC1HDAC3ADORA2B | |
| SCHEMBL7096517 | 0.79 | ADORA2A (0.60) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4452802 | 0.79 | ADORA2A (1.00) | ADORA2AADORA1HDAC1ADORA2B | |
| SCHEMBL4455442 | 0.77 | ADORA2A (1.00) | ADORA2AADORA1HDAC1ADORA2B | |
| SCHEMBL4452849 | 0.77 | ADORA2A (1.00) | ADORA2AADORA1HDAC1ADORA2B | |
| SCHEMBL13607673 | 0.77 | ADORA2A (0.77) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4452013 | 0.76 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4449651 | 0.76 | ADORA2A (1.00) | ADORA2AADORA1HDAC1HDAC3ADORA2B | |
| SCHEMBL13601214 | 0.75 | ADORA2A (0.84) | ADORA2AADORA1HDAC1HDAC3ADORA2B |
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 3 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 | claimed |
| 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 |