Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 11/20 | 0.69 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6863498 | 0.83 | ADORA2A (0.79) | ADORA2AALDH1A1 | |
| SCHEMBL6870143 | 0.82 | ADORA2A (0.65) | ADORA2AKMT2AALDH1A1 | |
| SCHEMBL6863691 | 0.82 | ADORA2A (0.71) | ADORA2A | |
| SCHEMBL6867940 | 0.82 | ADORA2A (1.00) | ADORA2A | |
| SCHEMBL6871702 | 0.82 | ADORA2A (0.77) | ADORA2A | |
| SCHEMBL6869273 | 0.81 | ADORA2A (0.56) | ADORA2AF2ADORA3ADORA1 | |
| SCHEMBL6867888 | 0.81 | ADORA2A (0.66) | ADORA2AHSD17B10CYP1A2MAPK1CYP2C19 | |
| SCHEMBL6867154 | 0.80 | ADORA2A (0.63) | ADORA2AALDH1A1ADORA3ADORA2BADORA1 | |
| SCHEMBL6870605 | 0.79 | ADORA2A (0.58) | ADORA2AKMT2AHSD17B10ALDH1A1F2 | |
| SCHEMBL6870436 | 0.79 | ADORA2A (0.61) | ADORA2AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |