Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.73 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.73 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.73 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.73 |
| ▸ | HPGD | P15428 | 1/20 | 0.73 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.73 |
| ▸ | ABAT | P80404 | 1/20 | 0.73 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.73 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 3/20 | 0.57 |
| ▸ | APP | P05067 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | XDH | P47989 | 1/20 | 0.54 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL170629 | 0.92 | TRPA1 (0.86) | ALDH1A1TRPA1AOX1TRIM24HPGD | |
| Vanillin SCHEMBL10854393 | 0.92 | ALDH1A1 (0.86) | ALDH1A1TRPA1AOX1TRIM24HPGD | |
| Syringaldehyde SCHEMBL2487153 | 0.87 | TRPA1 (0.76) | ALDH1A1TRPA1AOX1TRIM24HPGD | |
| Vanillin SCHEMBL15259680 | 0.86 | ALDH1A1 (0.86) | ALDH1A1TRPA1AOX1TRIM24HPGD | |
| Isovanillin SCHEMBL15259649 | 0.86 | ALDH1A1 (0.86) | ALDH1A1TRPA1AOX1TRIM24HPGD | |
| Vanillin SCHEMBL28528337 | 0.86 | ALDH1A1 (0.93) | ALDH1A1TRPA1AOX1TRIM24HPGD | |
| Vanillin SCHEMBL8434165 | 0.86 | ALDH1A1 (0.93) | ALDH1A1TRPA1AOX1TRIM24HPGD | |
| Vanillin SCHEMBL28143787 | 0.86 | ALDH1A1 (0.93) | ALDH1A1TRPA1AOX1TRIM24HPGD | |
| Vanillin SCHEMBL1213 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TRPA1AOX1TRIM24HPGD | |
| Vanillin SCHEMBL29354839 | 0.86 | ALDH1A1 (1.00) | ALDH1A1TRPA1AOX1TRIM24HPGD |
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-103813725-B | The method of taste useful component, tobacco material, medicated cigarette and cigar is inhaled for strengthening the fragrant of tobacco product | 日本烟草产业株式会社 | 2016-08-17 | — | — | CN | disclosed |