Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Vanillin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.54 |
| ▸ | MAOB known ✓ | P27338 | 1/20 | 0.54 |
| ▸ | TLR9 known ✓ | Q9NR96 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.86 |
| ▸ | HPGD | P15428 | 2/20 | 0.86 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.86 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.86 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.86 |
| ▸ | ABAT | P80404 | 1/20 | 0.86 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.86 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.64 |
| ▸ | XDH | P47989 | 1/20 | 0.61 |
| ▸ | TTR | P02766 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.59 |
| ▸ | TYR | P14679 | 2/20 | 0.57 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.57 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Vanillin SCHEMBL1943810 | 1.00 | ALDH1A1 (0.86) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL27849261 | 0.98 | ALDH1A1 (0.83) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL395732 | 0.95 | ALDH1A1 (0.83) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL1434834 | 0.94 | ALDH1A1 (0.76) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL28655107 | 0.93 | ALDH1A1 (0.81) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL1213 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL29354839 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL720723 | 0.93 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL4442606 | 0.91 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL20549709 | 0.91 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 |
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-105454230-A | Application of sesquiterpenoid compounds in phytopathogenic fungus resistance | UNIV HAINAN NORMAL | 2016-04-06 | — | — | CN | disclosed |