Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.70 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.70 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.63 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | BLM | P54132 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL7322729 | 0.85 | ADORA2B (0.73) | ADORA2BADORA2AADORA1KDM4EADORA3 | |
| SCHEMBL7320043 | 0.83 | ADORA2B (0.70) | ADORA2BADORA2AADORA1KDM4EADORA3 | |
| Hydrochloric Acid SCHEMBL7315336 | 0.83 | ADORA2B (0.70) | ADORA2BADORA2AADORA1KDM4EADORA3 | |
| SCHEMBL7110639 | 0.83 | ADORA2B (1.00) | ADORA2BADORA2AADORA1KDM4EADORA3 | |
| SCHEMBL7313439 | 0.82 | ADORA2B (0.72) | ADORA2BADORA2AADORA1KDM4EADORA3 | |
| Hydrochloric Acid SCHEMBL7323859 | 0.81 | ADORA2B (0.67) | ADORA2BADORA2AADORA1KDM4EADORA3 | |
| SCHEMBL516344 | 0.81 | ADORA2B (1.00) | ADORA2BADORA2AADORA1KDM4EADORA3 | |
| SCHEMBL10723936 | 0.81 | ADORA2B (1.00) | ADORA2BADORA2AADORA1KDM4EADORA3 | |
| SCHEMBL516013 | 0.79 | ADORA2B (0.77) | ADORA2BADORA2AADORA1KDM4EADORA3 | |
| SCHEMBL7325458 | 0.79 | ADORA2B (0.76) | ADORA2BADORA2AADORA1KDM4EADORA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0267607-B1 | 8-ARYLXANTHINES | MARION MERRELL DOW INC. (US) | 1991-11-27 | — | — | EP | disclosed |
| US-4783530-A | CARDIOTONIC AND BRONCHODILATOR AGENTS | MARION LABORATORIES, INC. (US) | 1988-11-08 | — | — | US | disclosed |
| EP-0267607-A1 | 8-Arylxanthines | MARION MERRELL DOW INC. (US) | 1988-05-18 | — | — | EP | disclosed |