Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of Vanillyl Alcohol. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | MMP1 | P03956 | 1/20 | 0.57 |
| ▸ | FOS | P01100 | 1/20 | 0.56 |
| ▸ | TTR | P02766 | 1/20 | 0.56 |
| ▸ | JUN | P05412 | 1/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.56 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.56 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.54 |
| ▸ | AR | P10275 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Vanillyl Alcohol SCHEMBL29408335 | 0.91 | TAAR1 (0.67) | TSHRALDH1A1GAANFKB1TDP1 | |
| Vanillyl Alcohol SCHEMBL27774687 | 0.91 | TAAR1 (0.67) | TSHRALDH1A1GAANFKB1TDP1 | |
| Vanillyl Alcohol SCHEMBL62348 | 0.91 | TAAR1 (0.67) | TSHRALDH1A1GAANFKB1TDP1 | |
| Vanillyl Alcohol SCHEMBL116860 | 0.89 | TAAR1 (0.65) | TSHRALDH1A1GAANFKB1TDP1 | |
| Vanillyl Alcohol SCHEMBL2238547 | 0.87 | TAAR1 (0.62) | TSHRALDH1A1GAANFKB1TDP1 | |
| Sulfuric Acid SCHEMBL30665190 | 0.87 | TAAR1 (0.63) | TSHRALDH1A1GAANFKB1TDP1 | |
| Vanillyl Alcohol SCHEMBL28896891 | 0.83 | TSHR (0.64) | TSHRALDH1A1GAANFKB1TDP1 | |
| Vanillyl Alcohol SCHEMBL28478856 | 0.83 | TSHR (0.55) | TSHRALDH1A1GAANFKB1TDP1 | |
| Vanillyl Alcohol SCHEMBL27502653 | 0.83 | TSHR (0.69) | TSHRALDH1A1GAANFKB1TDP1 | |
| Sulfuric Acid SCHEMBL17157294 | 0.83 | TAAR1 (0.84) | TSHRALDH1A1GAANFKB1TDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111343993-B | Homovanillyl alcohol (HVA), HVA isomers, methods of making compositions comprising such compounds, and methods of using such compounds | 雀巢产品有限公司 | 2024-03-29 | — | — | CN | disclosed |
| US-11894139-B1 | Disease spectrum classification | PATIENTSLIKEME LLC (US) | 2024-02-06 | — | — | US | disclosed |
| EP-3918603-A1 | PREDICTING BLOOD METABOLITES | Yeda Research and Development Co. Ltd (IL) | 2021-12-08 | — | — | EP | disclosed |
| CN-111343993-A | Homovanilloid (HVA), HVA isomers, methods of making compositions comprising such compounds, and methods of using such compounds | 雀巢产品有限公司 | 2020-06-26 | — | — | CN | disclosed |
| US-20170370954-A1 | Biomarkers for Fatty Liver Disease and Methods Using the Same | METABOLON, INC. | 2017-12-28 | — | — | US | disclosed |