Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28527787 | 0.89 | ADORA2A (0.45) | ADORA2AUSP2MAPK1ADORA1HTR1A | |
| SCHEMBL30438337 | 0.89 | ADORA2A (0.45) | ADORA2AUSP2MAPK1ADORA1HTR1A | |
| SCHEMBL30437880 | 0.88 | ADORA2A (0.44) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL28524897 | 0.88 | ADORA2A (0.44) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL28526445 | 0.86 | ADORA1 (0.49) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL28524082 | 0.86 | ADORA2A (0.43) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL28336837 | 0.86 | ADORA2A (0.42) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL30438146 | 0.86 | ADORA2A (0.43) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL30438360 | 0.86 | ADORA1 (0.49) | ADORA2AADORA1HTR1AADORA3CYP2C9 | |
| SCHEMBL30438123 | 0.84 | ADORA2A (0.43) | ADORA2AADORA1HTR1AADORA3CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110563729-A | Polysubstituted xanthines and their use as A2A receptor antagonists | 山东新华制药股份有限公司 | 2019-12-13 | — | — | CN | claimed |
| CN-110563729-A | Polysubstituted xanthines and their use as A2A receptor antagonists | 山东新华制药股份有限公司 | 2019-12-13 | — | — | CN | disclosed |