Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | PTAFR | P25105 | 6/20 | 0.56 |
| ▸ | HRH1 | P35367 | 2/20 | 0.56 |
| ▸ | TBXAS1 | P24557 | 7/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29195357 | 1.00 | TDP1 (0.57) | TDP1L3MBTL1PTAFRHRH1TBXAS1 | |
| SCHEMBL1303904 | 0.90 | CYP1A2 (0.53) | TDP1L3MBTL1PTAFRHRH1TBXAS1 | |
| SCHEMBL5376031 | 0.83 | TDP1 (0.61) | TDP1L3MBTL1PTAFRHRH1TBXAS1 | |
| SCHEMBL724788 | 0.82 | TDP1 (0.80) | TDP1L3MBTL1HRH1TBXAS1CYP2A6 | |
| SCHEMBL29485675 | 0.82 | TDP1 (0.80) | TDP1L3MBTL1HRH1TBXAS1CYP2A6 | |
| SCHEMBL13082197 | 0.81 | HRH1 (0.62) | TDP1L3MBTL1PTAFRHRH1TBXAS1 | |
| SCHEMBL5368141 | 0.81 | HRH1 (0.62) | TDP1L3MBTL1PTAFRHRH1TBXAS1 | |
| SCHEMBL6159259 | 0.81 | SIGMAR1 (0.67) | TDP1L3MBTL1PTAFRHRH1TBXAS1 | |
| SCHEMBL29438514 | 0.81 | CYP2A6 (0.59) | TDP1L3MBTL1HRH1TBXAS1CYP2A6 | |
| SCHEMBL702110 | 0.81 | CYP2A6 (0.59) | TDP1L3MBTL1HRH1TBXAS1CYP2A6 |
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-117607283-A | Brand distinguishing method of electronic cigarette liquid and non-targeted screening method of chemical substances in electronic cigarette liquid | 国家烟草质量监督检验中心 | 2024-02-27 | — | — | CN | disclosed |