Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 20/20 | 0.58 |
| ▸ | ADORA3 | P0DMS8 | 19/20 | 0.58 |
| ▸ | ADORA2B | P29275 | 19/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 19/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4048985 | 0.89 | ADORA2A (0.53) | ADORA2AADORA3ADORA2BADORA1HDAC1 | |
| SCHEMBL4052682 | 0.87 | ADORA2A (0.71) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL4047878 | 0.86 | ADORA2A (0.75) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL4047991 | 0.86 | ADORA2A (0.64) | ADORA2AADORA3ADORA2BADORA1 | |
| Hydrochloric Acid SCHEMBL4048335 | 0.85 | ADORA2A (0.63) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL4046687 | 0.85 | ADORA2A (0.63) | ADORA2AADORA3ADORA2BADORA1HDAC1 | |
| SCHEMBL4049362 | 0.84 | ADORA2A (0.54) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL2991259 | 0.83 | ADORA3 (0.57) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL4045612 | 0.83 | ADORA2A (0.72) | ADORA2AADORA3ADORA2BADORA1 | |
| SCHEMBL4046609 | 0.82 | ADORA2A (0.53) | ADORA2AADORA3ADORA2BADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1392312-B1 | TRIAZOLO 4,5-d PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RES LTD (GB) | 2009-03-04 | — | — | EP | claimed |