Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 9/20 | 0.70 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.70 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.70 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 1/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | GLA | P06280 | 1/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
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 | 0.82 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL30741228 | 0.82 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL7110639 | 0.82 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL6554060 | 0.81 | ADORA2B (0.55) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL6554063 | 0.81 | ADORA2B (0.55) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL27841466 | 0.81 | ADORA2B (0.88) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL10723936 | 0.80 | ADORA2B (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL27841496 | 0.80 | ADORA2B (0.80) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| 8-Phenyl Theophylline SCHEMBL516432 | 0.80 | ADORA2A (1.00) | ADORA2BADORA2AADORA1ADORA3KDM4E | |
| SCHEMBL516013 | 0.79 | ADORA2B (0.77) | ADORA2BADORA2AADORA1ADORA3KDM4E |
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-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 |