Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.58 |
| ▸ | PDE4A | P27815 | 4/20 | 0.54 |
| ▸ | PDE4B | Q07343 | 4/20 | 0.54 |
| ▸ | PDE4C | Q08493 | 4/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 4/20 | 0.54 |
| ▸ | ABL1 | P00519 | 1/20 | 0.44 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | HBB | P68871 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28837899 | 0.85 | ADORA2B (0.60) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL8536539 | 0.77 | ADORA2B (0.55) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL6464355 | 0.76 | ADORA2B (1.00) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL7491449 | 0.75 | ADORA2B (0.56) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL5134361 | 0.75 | ADORA2B (0.97) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL7170414 | 0.75 | ADORA2B (0.52) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL7170406 | 0.75 | ADORA2B (0.52) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL2842234 | 0.74 | ADORA2B (0.55) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL7972790 | 0.74 | ADORA2B (0.55) | ADORA2BADORA3ADORA2APDE4APDE4B | |
| SCHEMBL941656 | 0.74 | ADORA2B (0.55) | ADORA2BADORA3ADORA2APDE4APDE4B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111333648-B | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-111333648-B | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-111333648-B | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2021-05-11 | — | — | CN | disclosed |
| CN-111333648-A | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2020-06-26 | — | — | CN | disclosed |
| CN-111333648-A | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2020-06-26 | — | — | CN | disclosed |
| CN-111333648-A | 8-substituted aromatic ring vinyl xanthine derivative and application thereof | 东莞市东阳光新药研发有限公司 | 2020-06-26 | — | — | CN | disclosed |