Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 10/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28900525 | 0.83 | CYP3A4 (0.59) | CYP3A4CYP2D6ADORA2A | |
| SCHEMBL29287914 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL29211975 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL28977844 | 0.82 | CYP3A4 (0.61) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL29287936 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL29211972 | 0.82 | CYP3A4 (0.55) | CYP3A4CYP2D6ADORA2AALDH1A1 | |
| SCHEMBL28900524 | 0.79 | CYP3A4 (0.61) | CYP3A4CYP2D6ADORA2A | |
| SCHEMBL22577390 | 0.77 | CYP3A4 (0.57) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL28977843 | 0.76 | CYP3A4 (0.53) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 | |
| SCHEMBL30931874 | 0.75 | CYP3A4 (0.67) | CYP3A4CYP2D6ADORA2AADORA1ALDH1A1 |
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-109485676-B | Novel nucleoside reverse transcriptase inhibitors for antiviral use | 深圳市塔吉瑞生物医药有限公司 | 2022-07-15 | — | — | CN | disclosed |