Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 11/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 8/20 | 0.45 |
| ▸ | PDE4A | P27815 | 9/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1866522 | 0.87 | PDE4A (0.49) | ALDH1A1ADORA2AADORA2BPDE4APDE4B | |
| SCHEMBL7684288 | 0.84 | ALDH1A1 (0.50) | ALDH1A1ADORA2AADORA2BPDE4APDE4B | |
| SCHEMBL11270394 | 0.82 | ADORA2B (0.53) | ALDH1A1ADORA2AADORA2BPDE4APDE4B | |
| SCHEMBL5616439 | 0.79 | ADORA2B (0.49) | ALDH1A1ADORA2AADORA2BPDE4APDE4B | |
| SCHEMBL7684917 | 0.78 | ALDH1A1 (0.42) | ALDH1A1ADORA2BTRPA1CYP2C19ADORA3 | |
| SCHEMBL2115743 | 0.77 | ALDH1A1 (0.52) | ALDH1A1ADORA2AADORA2BPDE4APDE4B | |
| SCHEMBL3306010 | 0.76 | ACP1 (0.55) | ADORA2BPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL26248660 | 0.76 | ADORA2A (0.47) | ALDH1A1ADORA2AADORA2BPDE4APDE4B | |
| SCHEMBL94914 | 0.73 | ALDH1A1 (0.52) | ALDH1A1ADORA2AADORA2BPDE4APDE4B | |
| SCHEMBL8354950 | 0.73 | ALDH1A1 (0.52) | ALDH1A1ADORA2AADORA2BPDE4APDE4B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023168786-A1 | USE OF 1,7-DIHYDRO-6H-PURIN-6-ONE COMPOUNDS IN PREPARATION OF ANTI-PULMONARY FIBROSIS DRUG | 四川大学华西医院 | 2023-09-14 | — | — | WO | disclosed |