Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16585684 | 0.96 | ADORA3 (0.48) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL15253136 | 0.95 | ADORA2A (0.47) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL29108561 | 0.83 | ADORA3 (0.52) | ADORA3ADORA2AADORA2BADORA1CYP2C9 | |
| SCHEMBL14375141 | 0.78 | ADORA3 (0.37) | ADORA3ADORA2AADORA1 | |
| SCHEMBL26968336 | 0.77 | ADORA3 (0.64) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL26968745 | 0.75 | ADORA3 (0.46) | ADORA3ADORA2AADORA2BADORA1ALDH1A1 | |
| SCHEMBL29108609 | 0.75 | ADORA3 (0.38) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL16585685 | 0.75 | ADORA3 (0.61) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL15253137 | 0.74 | ADORA3 (0.60) | ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL26968662 | 0.73 | ADORA3 (0.45) | ADORA3ADORA2AADORA2BADORA1 |
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-117083286-A | Pair A 2A A is a 3 Adenosine derivatives having antagonism to adenosine receptor and process for preparing same | 未来制药有限公司 | 2023-11-17 | — | — | CN | disclosed |