Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 11/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.50 |
| ▸ | PDE4A | P27815 | 2/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7037071 | 0.88 | ADORA2B (0.67) | ADORA2BALDH1A1ADORA2AKDM4EMAPT | |
| SCHEMBL7031251 | 0.87 | ADORA2B (0.71) | ADORA2BADORA2ABLMHSD17B10PDE4A | |
| SCHEMBL14344322 | 0.80 | ADORA2B (0.68) | ADORA2BADORA2AHPGDADORA3 | |
| SCHEMBL7039451 | 0.76 | ADORA2B (0.86) | ADORA2BALDH1A1ADORA2AKDM4EMAPT | |
| SCHEMBL1946868 | 0.76 | ADORA2B (0.58) | ADORA2BADORA2AADORA3 | |
| SCHEMBL7037369 | 0.74 | ADORA2B (0.88) | ADORA2BALDH1A1ADORA2AKDM4EHSD17B10 | |
| SCHEMBL836600 | 0.72 | CYP1A2 (0.47) | ADORA2BADORA2APDE4APDE4BPDE4C | |
| SCHEMBL1497286 | 0.71 | ADORA2B (0.57) | ADORA2BADORA2ABLMHSD17B10PDE4A | |
| SCHEMBL3233596 | 0.71 | MAPT (0.48) | ADORA2BALDH1A1ADORA2AMAPTADORA3 | |
| SCHEMBL13247924 | 0.71 | CYP1A2 (0.58) | ADORA2BALDH1A1ADORA2APDE4APDE4B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0956855-B1 | Immunosuppressive effects of 8 substituted xanthine derivatives | LEUVEN K U RES & DEV (BE) | 2003-03-12 | — | — | EP | claimed |