Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.63 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.63 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.63 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 7/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL23828915 | 1.00 | ADORA2A (0.63) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL23828885 | 0.91 | ADORA2A (0.66) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL23828910 | 0.91 | ADORA2A (0.68) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL23581271 | 0.87 | ADORA2A (0.72) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL29837353 | 0.87 | ADORA2A (0.72) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL23581229 | 0.86 | ADORA2A (0.70) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL29837352 | 0.86 | ADORA2A (0.72) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL23291341 | 0.86 | ADORA2A (0.72) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL23581217 | 0.85 | ADORA2A (0.68) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 | |
| SCHEMBL23581209 | 0.84 | ADORA2A (0.67) | ADORA2AADORA3ADORA2BADORA1ALDH1A1 |
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-111164084-B | Triazolotriazine derivatives useful as A2A receptor antagonists | 浙江春禾医药科技有限公司 | 2023-05-23 | — | — | CN | disclosed |