Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.65 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.61 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.61 |
| ▸ | FAP | Q12884 | 1/20 | 0.55 |
| ▸ | PI4KA | P42356 | 2/20 | 0.54 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.54 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.54 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.53 |
| ▸ | AHCY | P23526 | 2/20 | 0.53 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL15257613 | 0.90 | CYP3A4 (0.68) | CYP3A4ADORA2AADORA1FAPPI4KA | |
| SCHEMBL15045890 | 0.85 | CYP3A4 (0.70) | CYP3A4ADORA2AADORA1FAPPI4KA | |
| SCHEMBL3305032 | 0.84 | CYP3A4 (0.68) | CYP3A4ADORA2AADORA1FAPPI4KA | |
| SCHEMBL608687 | 0.84 | CYP3A4 (0.68) | CYP3A4ADORA2AADORA1FAPPI4KA | |
| SCHEMBL1249906 | 0.84 | ADORA2A (0.68) | CYP3A4ADORA2AADORA1PI4KAPI4K2B | |
| SCHEMBL20502333 | 0.84 | ADORA2A (0.68) | CYP3A4ADORA2AADORA1PI4KAPI4K2B | |
| SCHEMBL28883711 | 0.84 | ADORA2A (0.68) | CYP3A4ADORA2AADORA1PI4KAPI4K2B | |
| Water SCHEMBL28104561 | 0.83 | CYP3A4 (0.67) | CYP3A4ADORA2AADORA1FAPPI4KA | |
| Water SCHEMBL28104578 | 0.83 | CYP3A4 (0.67) | CYP3A4ADORA2AADORA1FAPPI4KA | |
| SCHEMBL10015788 | 0.82 | ADORA2A (0.69) | CYP3A4ADORA2AADORA1PI4KAPI4K2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-110099912-B | Antiviral tenofovir aliphatic ester prodrug | 默沙东公司 | 2021-10-15 | — | — | CN | disclosed |