Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 16/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6871877 | 0.89 | ADORA2A (0.48) | ADORA2AALDH1A1 | |
| SCHEMBL6870280 | 0.89 | ADORA2A (0.53) | ADORA2AALDH1A1HPGD | |
| SCHEMBL6863814 | 0.87 | ADORA2A (0.67) | ADORA2AHPGD | |
| SCHEMBL6870030 | 0.86 | ADORA2A (0.66) | ADORA2AHPGD | |
| SCHEMBL6863267 | 0.86 | ADORA2A (0.66) | ADORA2AHPGD | |
| SCHEMBL6863682 | 0.86 | ADORA2A (0.66) | ADORA2AHPGD | |
| SCHEMBL6872157 | 0.85 | ADORA2A (0.50) | ADORA2A | |
| SCHEMBL6867753 | 0.85 | ADORA2A (0.61) | ADORA2AALDH1A1HPGD | |
| SCHEMBL6870718 | 0.85 | ADORA2A (0.67) | ADORA2AALDH1A1HPGD | |
| SCHEMBL6863359 | 0.83 | ADORA2A (0.47) | ADORA2AHPGD |
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 |