Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Octanol. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 2/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | PPARG | P37231 | 8/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | FBP1 | P09467 | 1/20 | 0.41 |
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 | 1.00 | ALDH1A1 (0.65) | ALDH1A1LMNATSHRHSD17B10MEN1 | |
| 1-Pentanol SCHEMBL6412563 | 0.97 | SMN1; SMN2 (0.63) | ALDH1A1LMNATSHRHSD17B10MEN1 | |
| Octanol SCHEMBL28612657 | 0.90 | ALDH1A1 (0.65) | ALDH1A1LMNATSHRHSD17B10MEN1 | |
| Butyl Alcohol SCHEMBL28738332 | 0.90 | ALDH1A1 (0.61) | ALDH1A1LMNATSHRHSD17B10MEN1 | |
| Butyl Alcohol SCHEMBL10638187 | 0.90 | — | — | |
| Dodecane SCHEMBL29645029 | 0.89 | ALDH1A1 (0.62) | ALDH1A1LMNATSHRHSD17B10MEN1 | |
| Octane SCHEMBL9793297 | 0.89 | ALDH1A1 (0.62) | ALDH1A1LMNATSHRHSD17B10MEN1 | |
| Octane SCHEMBL8954452 | 0.89 | ALDH1A1 (0.62) | ALDH1A1LMNATSHRHSD17B10MEN1 | |
| Hexadecane SCHEMBL380459 | 0.89 | ALDH1A1 (0.62) | ALDH1A1LMNATSHRHSD17B10MEN1 | |
| Nonane SCHEMBL27883833 | 0.89 | ALDH1A1 (0.62) | ALDH1A1LMNATSHRHSD17B10MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000058261-A1 | SOLID NITRATING REAGENT | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2000-10-05 | — | — | WO | disclosed |