Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.40 |
| ▸ | HAVCR2 | Q8TDQ0 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17897308 | 0.80 | ADORA2A (0.57) | HSP90AB1ADORA2A | |
| SCHEMBL15846590 | 0.77 | ADORA2A (0.46) | HSP90AB1ADORA2APDE10AHAVCR2HSD17B10 | |
| SCHEMBL14810416 | 0.76 | ADORA2A (0.67) | ADORA2AADORA2B | |
| SCHEMBL19104709 | 0.76 | HSP90AB1 (0.46) | HSP90AB1ADORA2ANR4A2 | |
| SCHEMBL18948427 | 0.75 | PDE10A (0.63) | HSP90AB1PDE10AHAVCR2HSD17B10 | |
| SCHEMBL22987876 | 0.75 | ADORA2A (0.48) | HSP90AB1ADORA2AADORA2B | |
| SCHEMBL22987894 | 0.74 | HSP90AB1 (0.45) | HSP90AB1ADORA2ANR4A2ADORA2B | |
| SCHEMBL19941816 | 0.71 | HSP90AB1 (0.44) | HSP90AB1ADORA2A | |
| SCHEMBL26330327 | 0.69 | ADORA2A (0.48) | ADORA2APDE10AADORA2B | |
| SCHEMBL15846588 | 0.66 | HSP90AB1 (0.45) | HSP90AB1ADORA2AHSD17B10ADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023158626-A1 | ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-08-24 | — | — | WO | disclosed |