Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 17/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6867753 | 0.86 | ADORA2A (0.61) | ADORA2AALDH1A1 | |
| SCHEMBL6867359 | 0.84 | ADORA2A (0.62) | ADORA2AALDH1A1 | |
| SCHEMBL6872004 | 0.84 | ADORA2A (0.47) | ADORA2A | |
| SCHEMBL6873056 | 0.82 | ADORA2A (0.65) | ADORA2A | |
| SCHEMBL7150291 | 0.82 | ADORA2A (0.65) | ADORA2AADORA1 | |
| SCHEMBL7150287 | 0.82 | ADORA2A (0.65) | ADORA2AADORA1 | |
| SCHEMBL6867465 | 0.82 | ADORA2A (0.65) | ADORA2AADORA1 | |
| SCHEMBL6863814 | 0.79 | ADORA2A (0.67) | ADORA2A | |
| SCHEMBL6863359 | 0.79 | ADORA2A (0.47) | ADORA2AADORA1 | |
| SCHEMBL6870280 | 0.79 | ADORA2A (0.53) | 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 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 |