Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.69 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.69 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.69 |
| ▸ | HTR1A | P08908 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | MAOB | P27338 | 1/20 | 0.69 |
| ▸ | PDE4A | P27815 | 1/20 | 0.69 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.69 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL28517630 | 1.00 | ADORA2A (0.69) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL28528739 | 0.86 | ADORA2A (0.71) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL28528737 | 0.86 | ADORA2A (0.71) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL30035466 | 0.86 | ADORA2A (0.71) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7307860 | 0.84 | ADORA2A (0.72) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL7307851 | 0.84 | ADORA2A (0.72) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL5141484 | 0.82 | ADORA2A (0.79) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| SCHEMBL5141486 | 0.82 | ADORA2A (0.79) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| Istradefylline SCHEMBL5967914 | 0.81 | ADORA2A (1.00) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 | |
| Istradefylline SCHEMBL633263 | 0.81 | ADORA2A (1.00) | ADORA2AADORA3ADORA2BHTR1ACYP2C9 |
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-112409360-B | Heteroaryl vinyl xanthine derivatives and uses thereof | 广东东阳光药业有限公司 | 2022-12-23 | — | — | CN | disclosed |
| CN-112409360-A | Heteroaryl vinyl xanthine derivatives and uses thereof | 广东东阳光药业有限公司 | 2021-02-26 | — | — | CN | disclosed |