Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 18/20 | 0.74 |
| ▸ | ADORA2A | P29274 | 13/20 | 0.74 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.74 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.74 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | THPO | P40225 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7738379 | 0.85 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL30741228 | 0.85 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL6554064 | 0.84 | ADORA2B (0.55) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL27841466 | 0.84 | ADORA2B (0.88) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL6554062 | 0.84 | ADORA2B (0.55) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL27841496 | 0.83 | ADORA2B (0.80) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL7222964 | 0.82 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL7222961 | 0.82 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL27859192 | 0.78 | ADORA2B (0.70) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL6553746 | 0.78 | ADORA2B (0.53) | ADORA2BADORA2AADORA1ADORA3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102260260-A | 8-phenyl xanthine compound, preparation method, medicine composition including the compound and purpose thereof | — | 2011-11-30 | — | — | CN | claimed |
| CN-102260260-B | 8-phenyl xanthine compound, preparation method, medicine composition including the compound and purpose thereof | SHANGHAI INST MATERIA MEDICA | 2014-08-06 | — | — | CN | disclosed |
| CN-102260260-A | 8-phenyl xanthine compound, preparation method, medicine composition including the compound and purpose thereof | — | 2011-11-30 | — | — | CN | disclosed |