Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 3/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.42 |
| ▸ | SLC22A11 | Q9NSA0 | 1/20 | 0.42 |
| ▸ | PDE4A | P27815 | 7/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.40 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10420653 | 0.72 | PDE4A (0.49) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL3171115 | 0.71 | ADORA2A (0.55) | ADORA1ADORA2AADORA2BADORA3PDE4A | |
| SCHEMBL9287682 | 0.69 | ADORA2A (0.56) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL4120049 | 0.68 | ADORA2A (0.54) | ADORA2AADORA2BPDE4APDE4BPDE4C | |
| SCHEMBL7162120 | 0.67 | ADORA2A (0.47) | ADORA2AADORA2BADORA3PDE4APDE4B | |
| Rolofylline SCHEMBL18029490 | 0.64 | ADORA2A (0.71) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7270107 | 0.63 | ADORA1 (0.59) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL8710809 | 0.62 | ADORA3 (0.39) | ADORA1ADORA2AADORA3 | |
| SCHEMBL7269366 | 0.62 | ADORA1 (1.00) | ADORA1ADORA2AADORA2BADORA3SLC6A3 | |
| SCHEMBL7268807 | 0.61 | ADORA2A (0.61) | ADORA1ADORA2AADORA2BADORA3SLC6A3 |
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-0415456-A2 | Xanthine compounds | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-03-06 | — | — | EP | disclosed |