Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.62 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 2/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.35 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.34 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6863393 | 0.90 | ADORA2A (0.50) | ADORA2A | |
| SCHEMBL6870566 | 0.86 | ADORA2A (0.45) | ADORA2AHSD17B2HSD17B1 | |
| SCHEMBL6867221 | 0.85 | ADORA2A (0.46) | ADORA2AROCK2ROCK1HSD17B2HSD17B1 | |
| SCHEMBL6863124 | 0.84 | ADORA2A (0.49) | ADORA2A | |
| SCHEMBL6863423 | 0.83 | ADORA2A (0.43) | ADORA2ALTB4R2 | |
| SCHEMBL6871816 | 0.81 | ADORA2A (0.57) | ADORA2A | |
| SCHEMBL6863086 | 0.81 | PLAU (0.44) | ADORA2A | |
| SCHEMBL6863519 | 0.81 | ADORA2A (0.44) | ADORA2A | |
| SCHEMBL6867905 | 0.80 | ADORA2A (0.54) | ADORA2AHSD17B2HSD17B1 | |
| SCHEMBL6871983 | 0.79 | ADORA2A (0.46) | 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 1 patent. 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 |