Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 15/20 | 0.67 |
| ▸ | ABCB1 | P08183 | 4/20 | 0.45 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6871623 | 0.99 | ADORA2A (0.67) | ADORA2AABCB1ABCG2KDM4E | |
| SCHEMBL6868104 | 0.84 | ADORA2A (0.72) | ADORA2A | |
| SCHEMBL6863099 | 0.83 | ADORA2A (0.45) | ADORA2A | |
| SCHEMBL6867145 | 0.83 | ADORA2A (0.71) | ADORA2A | |
| SCHEMBL6870294 | 0.80 | ADORA2A (1.00) | ADORA2AKDM4E | |
| SCHEMBL6871806 | 0.80 | ADORA2A (0.42) | ADORA2A | |
| SCHEMBL6863438 | 0.79 | ADORA2A (1.00) | ADORA2AKDM4E | |
| SCHEMBL6869838 | 0.78 | ADORA2A (0.43) | ADORA2AKDM4E | |
| SCHEMBL6871214 | 0.78 | ADORA2A (1.00) | ADORA2A | |
| SCHEMBL6867154 | 0.77 | ADORA2A (0.63) | ADORA2A |
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-1347974-B1 | AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS | HOFFMANN LA ROCHE (CH) | 2004-11-03 | — | — | EP | disclosed |
| US-6506772-B1 | Pharmaceutically active salts thereof with activity as adenosine receptor ligands are disclosed. These compounds are the adenosine receptor. | HOFFMANN-LA ROCHE INC. | 2003-01-14 | — | — | US | disclosed |