Known targets — ChEMBL curated mechanism
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The experimentally established mechanism targets of 1-Hexanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.81 |
| ▸ | TSHR | P16473 | 3/20 | 0.81 |
| ▸ | MEN1 | O00255 | 2/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.81 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.81 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.75 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 1-Hexanol SCHEMBL28230540 | 0.97 | — | — | |
| Octanol SCHEMBL20527805 | 0.97 | LMNA (0.87) | LMNAALDH1A1TSHRMEN1KMT2A | |
| Undecane SCHEMBL29188782 | 0.97 | LMNA (0.87) | LMNAALDH1A1TSHRMEN1KMT2A | |
| Tridecane SCHEMBL29188786 | 0.97 | LMNA (0.87) | LMNAALDH1A1TSHRMEN1KMT2A | |
| Tetradecane SCHEMBL29188703 | 0.97 | LMNA (0.87) | LMNAALDH1A1TSHRMEN1KMT2A | |
| Dodecane SCHEMBL29188800 | 0.97 | LMNA (0.87) | LMNAALDH1A1TSHRMEN1KMT2A | |
| Nonane SCHEMBL29017473 | 0.97 | LMNA (0.87) | LMNAALDH1A1TSHRMEN1KMT2A | |
| Methane SCHEMBL21002517 | 0.94 | LMNA (0.93) | LMNAALDH1A1TSHRMEN1KMT2A | |
| Methane SCHEMBL21002275 | 0.94 | LMNA (0.93) | LMNAALDH1A1TSHRMEN1KMT2A | |
| Nonanol SCHEMBL2761019 | 0.94 | ALDH1A1 (0.93) | LMNAALDH1A1TSHRMEN1KMT2A |
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-108654627-B | Preparation method of pre-reduction type copper-zinc-aluminum low-temperature shift catalyst | 江苏中正陶瓷科技有限公司 | 2021-03-05 | — | — | CN | disclosed |