Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 19/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21176826 | 1.00 | ADORA2A (0.41) | ADORA2AHDAC1ADORA1 | |
| SCHEMBL29947097 | 0.84 | ADORA2A (0.37) | ADORA2AHDAC1ADORA1 | |
| SCHEMBL21187722 | 0.77 | KDM4E (0.38) | ADORA2AADORA1 | |
| SCHEMBL23828417 | 0.75 | ADORA2A (0.39) | ADORA2AHDAC1ADORA1 | |
| SCHEMBL20392820 | 0.75 | ADORA2A (0.42) | ADORA2AADORA1 | |
| SCHEMBL30738272 | 0.75 | ADORA2A (0.42) | ADORA2AADORA1 | |
| SCHEMBL29980651 | 0.75 | MAPT (0.44) | ADORA2AADORA1 | |
| SCHEMBL29980748 | 0.75 | MAPT (0.44) | ADORA2AADORA1 | |
| SCHEMBL20658479 | 0.74 | KDM4E (0.36) | ADORA2AHDAC1ADORA1 | |
| SCHEMBL21583441 | 0.73 | ADORA2A (0.45) | ADORA2AHDAC1ADORA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113166119-B | Substituted aryl compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-01-05 | — | — | CN | disclosed |