Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 1-Pentanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 4/20 | 0.42 |
| ▸ | CES1 | P23141 | 4/20 | 0.42 |
| ▸ | PPARG | P37231 | 7/20 | 0.38 |
| ▸ | PPARA | Q07869 | 2/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | FBP1 | P09467 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Dodecanol SCHEMBL28143363 | 0.97 | ALDH1A1 (0.65) | SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1 | |
| Octanol SCHEMBL8008708 | 0.97 | ALDH1A1 (0.65) | SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1 | |
| Butyl Alcohol SCHEMBL10638187 | 0.92 | — | — | |
| Butyl Alcohol SCHEMBL28738332 | 0.92 | ALDH1A1 (0.61) | SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1 | |
| Hexane SCHEMBL10491880 | 0.89 | ALDH1A1 (0.57) | SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1 | |
| Hexane SCHEMBL27687689 | 0.89 | ALDH1A1 (0.57) | SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1 | |
| Octanol SCHEMBL28612657 | 0.87 | ALDH1A1 (0.65) | SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1 | |
| 1-Pentanol SCHEMBL27825072 | 0.87 | SMN1; SMN2 (0.60) | SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1 | |
| Hexadecane SCHEMBL380459 | 0.86 | ALDH1A1 (0.62) | ALDH1A1LMNAHSD17B10MEN1KMT2A | |
| Octane SCHEMBL8954452 | 0.86 | ALDH1A1 (0.62) | ALDH1A1LMNAHSD17B10MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110344060-B | Corrosive agent for displaying coating structure of zinc-iron alloy hot-dip galvanized steel sheet and preparation and use methods thereof | 马鞍山钢铁股份有限公司 | 2021-06-15 | — | — | CN | disclosed |
| CN-110344060-A | It is a kind of for showing the corrosive agent and its preparation and application of zinc-iron alloy hot-dip galvanized steel sheet coating structure | 马鞍山钢铁股份有限公司 | 2019-10-18 | — | — | CN | disclosed |
| CN-105524912-A | Method for preparing hexanoic acid and n-butyric acid compound fungus stick | JIANGSU SHIKONG COATING CO LTD | 2016-04-27 | — | — | CN | disclosed |
| CN-102618617-B | Method for co-production of hexanoic acid and ethylacetic acid through composite bacteria fermentation | SICHUAN SHENLIAN BIOTECH CO LTD | 2013-08-28 | — | — | CN | disclosed |
| CN-102618617-A | Method for co-production of hexanoic acid and ethylacetic acid through composite bacteria fermentation | SICHUAN SHENLIAN BIOTECH CO LTD | 2012-08-01 | — | — | CN | disclosed |
| US-20050044778-A1 | Fuel compositions employing catalyst combustion structure | OCTANE INTERNATIONAL, LTD. | 2005-03-03 | — | — | US | disclosed |