Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.68 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.68 |
| ▸ | PGK1 | P00558 | 1/20 | 0.66 |
| ▸ | PGK2 | P07205 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL11010230 | 1.00 | ADORA3 (0.68) | ADORA3ADORA1PGK1PGK2CYP2C19 | |
| SCHEMBL4806342 | 0.88 | ADORA3 (0.76) | ADORA3ADORA1PGK1PGK2 | |
| SCHEMBL4799496 | 0.87 | ADORA3 (0.79) | ADORA3ADORA1 | |
| SCHEMBL14163183 | 0.87 | ADORA3 (0.79) | ADORA3ADORA1 | |
| SCHEMBL5035090 | 0.87 | ADORA3 (0.79) | ADORA3ADORA1 | |
| SCHEMBL4804505 | 0.86 | ADORA2A (0.77) | ADORA3ADORA1CYP2C19 | |
| SCHEMBL10944003 | 0.86 | TSHR (0.75) | ADORA3ADORA1CYP2C19 | |
| SCHEMBL9762922 | 0.85 | ADORA2A (0.76) | CYP2C19 | |
| SCHEMBL9762901 | 0.85 | ADORA2A (0.76) | CYP2C19 | |
| SCHEMBL10942160 | 0.85 | ADORA3 (0.62) | ADORA3ADORA1PGK1PGK2 |
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-0144235-A2 | N6-(1- and 2-benzocycloalkyl) adenosines, pharmaceutical compositions comprising the same and a process for the production thereof | WARNER-LAMBERT COMPANY (US) | 1985-06-12 | — | — | EP | disclosed |