Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 18/20 | 0.72 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.72 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.72 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.72 |
| ▸ | SLC28A1 | O00337 | 1/20 | 0.70 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL472548 | 1.00 | ADORA1 (0.72) | ADORA1ADORA3ADORA2AADORA2BSLC28A1 | |
| SCHEMBL472664 | 1.00 | ADORA1 (0.72) | ADORA1ADORA3ADORA2AADORA2BSLC28A1 | |
| SCHEMBL472511 | 0.91 | ADORA1 (0.74) | ADORA1ADORA3ADORA2AADORA2BSLC28A1 | |
| SCHEMBL13384982 | 0.91 | ADORA1 (0.74) | ADORA1ADORA3ADORA2AADORA2BSLC28A1 | |
| SCHEMBL14829675 | 0.91 | ADORA1 (0.74) | ADORA1ADORA3ADORA2AADORA2BSLC28A1 | |
| SCHEMBL472547 | 0.91 | ADORA1 (0.70) | ADORA1ADORA3ADORA2AADORA2BSLC28A1 | |
| Acetone SCHEMBL472504 | 0.88 | ADORA1 (0.71) | ADORA1ADORA3ADORA2AADORA2BSLC28A1 | |
| SCHEMBL472685 | 0.86 | ADORA1 (0.67) | ADORA1ADORA3ADORA2AADORA2BSLC28A1 | |
| SCHEMBL472605 | 0.85 | ADORA1 (0.75) | ADORA1ADORA3ADORA2AADORA2BSLC28A1 | |
| SCHEMBL6658834 | 0.85 | ADORA1 (0.80) | ADORA1ADORA3ADORA2AADORA2BSLC28A1 |
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-2412716-A1 | Partial and full agonists of A1 adenosine receptors | CV THERAPEUTICS, INC. (US) | 2012-02-01 | — | — | EP | disclosed |