Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 2/20 | 0.31 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29137087 | 0.94 | OPRM1 (0.39) | OPRM1SPHK1CYP2D6 | |
| SCHEMBL28281031 | 0.90 | — | — | |
| Bromide SCHEMBL28540807 | 0.89 | — | — | |
| SCHEMBL27942968 | 0.82 | — | — | |
| Bromide SCHEMBL28179417 | 0.80 | — | — | |
| SCHEMBL28096521 | 0.78 | CHRM2 (0.32) | OPRM1CHRM2HTR1AADRA2AADORA3 | |
| Bromide SCHEMBL28084571 | 0.77 | CHRM2 (0.31) | OPRM1CHRM2HTR1AADRA2AADORA3 | |
| SCHEMBL28717090 | 0.76 | DNM1 (0.35) | SPHK1 | |
| SCHEMBL28069225 | 0.76 | — | — | |
| SCHEMBL28577464 | 0.74 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113933431-B | Method for determining alkaloid in main stream smoke of cigarettes | 中国烟草总公司郑州烟草研究院 | 2023-09-01 | — | — | CN | claimed |
| CN-113933432-B | High-sensitivity and high-precision analysis method suitable for detecting alkaloid in tobacco leaves | 中国烟草总公司郑州烟草研究院 | 2023-08-25 | — | — | CN | claimed |
| CN-113933431-A | Method for measuring alkaloid in cigarette mainstream smoke | 中国烟草总公司郑州烟草研究院 | 2022-01-14 | — | — | CN | claimed |
| CN-113933432-A | High-sensitivity and high-precision analysis method suitable for detecting alkaloid in tobacco leaves | 中国烟草总公司郑州烟草研究院 | 2022-01-14 | — | — | CN | claimed |
| CN-113933431-B | Method for determining alkaloid in main stream smoke of cigarettes | 中国烟草总公司郑州烟草研究院 | 2023-09-01 | — | — | CN | disclosed |
| CN-113933432-B | High-sensitivity and high-precision analysis method suitable for detecting alkaloid in tobacco leaves | 中国烟草总公司郑州烟草研究院 | 2023-08-25 | — | — | CN | disclosed |
| CN-113933431-A | Method for measuring alkaloid in cigarette mainstream smoke | 中国烟草总公司郑州烟草研究院 | 2022-01-14 | — | — | CN | disclosed |
| CN-113933432-A | High-sensitivity and high-precision analysis method suitable for detecting alkaloid in tobacco leaves | 中国烟草总公司郑州烟草研究院 | 2022-01-14 | — | — | CN | disclosed |