Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexane. 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 | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | MTOR | P42345 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Octane SCHEMBL23406315 | 0.97 | TDP1 (0.62) | TDP1LMNASMN1; SMN2TSHRALDH1A1 | |
| Tetradecane SCHEMBL28128676 | 0.97 | TDP1 (0.62) | TDP1LMNASMN1; SMN2TSHRALDH1A1 | |
| Dodecane SCHEMBL1656240 | 0.97 | TDP1 (0.62) | TDP1LMNASMN1; SMN2TSHRALDH1A1 | |
| Propylene Glycol SCHEMBL28029073 | 0.97 | TDP1 (0.62) | TDP1LMNASMN1; SMN2TSHRALDH1A1 | |
| Heptane SCHEMBL9721452 | 0.97 | TDP1 (0.62) | TDP1LMNASMN1; SMN2TSHRALDH1A1 | |
| Propylene Glycol SCHEMBL11144810 | 0.93 | TDP1 (0.67) | TDP1LMNASMN1; SMN2TSHRALDH1A1 | |
| 1-Pentanol SCHEMBL28549491 | 0.91 | SMN1; SMN2 (0.67) | TDP1LMNASMN1; SMN2TSHRALDH1A1 | |
| Cetyl Alcohol SCHEMBL11050798 | 0.89 | LMNA (0.68) | TDP1LMNASMN1; SMN2TSHRALDH1A1 | |
| Octanol SCHEMBL28658701 | 0.89 | LMNA (0.68) | TDP1LMNASMN1; SMN2TSHRALDH1A1 | |
| Decanol SCHEMBL28862558 | 0.89 | LMNA (0.68) | TDP1LMNASMN1; SMN2TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1099566-A1 | Dampening water composition for lithographic printing plate | FUJI PHOTO FILM CO., LTD. (JP) | 2001-05-16 | — | — | EP | claimed |
| CN-107881003-A | A kind of solvent extraction method of squid liver grease | 山东好当家海洋发展股份有限公司 | 2018-04-06 | — | — | CN | disclosed |
| EP-2762326-B1 | PRINTING METHOD USING ON PRESS DEVELOPMENT LITHOGRAPHIC PRINTING PLATE PRECURSOR | FUJIFILM CORP (JP) | 2017-08-23 | — | — | EP | disclosed |
| US-20140224140-A1 | PRINTING METHOD USING LITHOGRAPHIC PRINTING PLATE PRECURSOR OF ON-PRESS DEVELOPMENT TYPE | FUJIFILM COPORATION (JP) | 2014-08-14 | — | — | US | disclosed |
| EP-2762326-A1 | PRINTING METHOD USING ON PRESS DEVELOPMENT LITHOGRAPH PRINTING PLATE PRECURSOR | FUJIFILM Corporation (JP) | 2014-08-06 | — | — | EP | disclosed |
| EP-1099566-A1 | Dampening water composition for lithographic printing plate | FUJI PHOTO FILM CO., LTD. (JP) | 2001-05-16 | — | — | EP | disclosed |