Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 18/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4557673 | 0.79 | ADORA2A (0.64) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4452012 | 0.76 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4452013 | 0.76 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4450557 | 0.74 | ADORA2A (1.00) | ADORA2AADORA1 | |
| SCHEMBL4452784 | 0.74 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL13601276 | 0.73 | ADORA2A (0.60) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4458505 | 0.73 | ADORA2A (0.64) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4459531 | 0.73 | ADORA2A (1.00) | ADORA2AADORA1 | |
| SCHEMBL4459074 | 0.72 | ADORA2A (1.00) | ADORA2AADORA1HDAC1 | |
| SCHEMBL4464120 | 0.72 | ADORA2A (0.61) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1349552-A1 | PYRAZOLO 3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055082-A1 | PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |