Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 16/20 | 0.46 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15845649 | 0.79 | ADORA2A (0.44) | ADORA2AADORA2B | |
| SCHEMBL15845581 | 0.79 | ADORA2A (0.46) | ADORA2AADORA2B | |
| SCHEMBL26113066 | 0.77 | ADORA2A (0.43) | ADORA2AADORA2BPDE10A | |
| SCHEMBL30989992 | 0.74 | ADORA2A (0.47) | ADORA2AADORA2BPDE10A | |
| SCHEMBL17897255 | 0.73 | ADORA2A (0.41) | ADORA2AADORA2BPDE10AADORA1 | |
| SCHEMBL30989955 | 0.71 | ADORA2A (0.54) | ADORA2AADORA2B | |
| SCHEMBL26330423 | 0.71 | ADORA2A (0.50) | ADORA2AADORA2BPDE10A | |
| SCHEMBL405001 | 0.70 | PDE10A (0.38) | ADORA2APDE10A | |
| SCHEMBL17897295 | 0.69 | ADORA2A (0.50) | ADORA2AADORA2B | |
| SCHEMBL26330322 | 0.69 | HSP90AB1 (0.52) | ADORA2AADORA2BPDE10A |
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 |