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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH4 | P08319 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.37 |
| ▸ | GAPDH | P04406 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL28417852 | 0.97 | TSHR (0.46) | TSHRTP53ALDH1A1SPHK1THRB | |
| Heptane SCHEMBL1920062 | 0.97 | TSHR (0.46) | TSHRTP53ALDH1A1SPHK1THRB | |
| Hexane SCHEMBL2397294 | 0.95 | TSHR (0.43) | TSHRTP53ALDH1A1SPHK1SMN1; SMN2 | |
| Hexane SCHEMBL28467273 | 0.90 | ALDH1A1 (0.52) | TSHRTP53ALDH1A1SPHK1SMN1; SMN2 | |
| Pentane SCHEMBL28094240 | 0.89 | TSHR (0.43) | TSHRTP53ALDH1A1SPHK1SMN1; SMN2 | |
| Diethylamine SCHEMBL743633 | 0.87 | — | — | |
| Hexane SCHEMBL28226747 | 0.87 | TDP1 (0.50) | TSHRTP53ALDH1A1SPHK1SMN1; SMN2 | |
| Hexane SCHEMBL28985132 | 0.86 | ADH1B (0.39) | TSHRTP53ALDH1A1SMN1; SMN2MEN1 | |
| Hexane SCHEMBL28968246 | 0.86 | TSHR (0.37) | TSHRTP53ALDH1A1SPHK1MEN1 | |
| Hexane SCHEMBL28165252 | 0.86 | TSHR (0.46) | TSHRTP53ALDH1A1THRBSMN1; SMN2 |
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 320 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118348148-A | High performance liquid chromatography detection method for cinacalcet hydrochloride enantiomer | 山东威高药业股份有限公司 | 2024-07-16 | — | — | CN | claimed |
| CN-115494174-B | Method for detecting thiourea in meloxicam by high performance liquid chromatography | 南京瑞孚医药科技有限公司 | 2024-03-29 | — | — | CN | claimed |
| CN-115494174-A | Method for detecting thiourea in meloxicam by high performance liquid chromatography | 南京瑞孚医药科技有限公司 | 2022-12-20 | — | — | CN | claimed |
| CN-114839308-A | Method for detecting L-tryptophan methyl ester hydrochloride in D-tryptophan methyl ester hydrochloride | 江苏天士力帝益药业有限公司 | 2022-08-02 | — | — | CN | claimed |
| CN-111983075-A | Method for detecting rasagiline and enantiomer thereof | 重庆华森制药股份有限公司 | 2020-11-24 | — | — | CN | claimed |
| CN-111018723-A | Preparation and detection method of dapoxetine hydrochloride isomer impurity | 盖天力医药控股集团制药股份有限公司 | 2020-04-17 | — | — | CN | claimed |
| CN-106706796-B | The method for detecting bortezomib key intermediate 1R- trifluoroacetate optical isomer by high performance liquid chromatography | 南京海辰药业股份有限公司 | 2019-11-19 | — | — | CN | claimed |
| CN-105997852-B | A kind of Rui Jianuosheng injections and preparation method thereof | 南京海融医药科技股份有限公司 | 2018-10-09 | — | — | CN | claimed |
| CN-106706796-A | Method for detecting optical isomer of key intermediate 1R-trifluoroacetate of bortezomib by HPLC (high performance liquid chromatography) | 南京海辰药业股份有限公司 | 2017-05-24 | — | — | CN | claimed |
| CN-104897833-B | A kind of detection method of ACT-064992 intermediate and its application | 成都克莱蒙医药科技有限公司 | 2017-03-01 | — | — | CN | claimed |
| CN-105997852-A | Regadenoson injection and preparation method thereof | 南京海融医药科技有限公司 | 2016-10-12 | — | — | CN | claimed |
| CN-105968156-A | Alpha isomer impurity of regadenoson and preparation method and use thereof | 南京海融医药科技有限公司 | 2016-09-28 | — | — | CN | claimed |
| CN-104897833-A | Detection method for macitentan intermediate and application thereof | CHENGDU CLIMB PHARMACEUTICAL TECHNOLOGY CO LTD | 2015-09-09 | — | — | CN | claimed |
| CN-101532996-B | Method for analyzing and separating levetiracetam by using HPLC method | BEIJING D VENTURE PHARM TECH | 2013-12-04 | — | — | CN | claimed |
| CN-101881755-B | Method for detecting esmolol hydrochlorid optical isomer by high efficiency liquid chromatography | NANJING HIGHSUN PHARMACEUTICAL CO LTD | 2013-05-29 | — | — | CN | claimed |
| CN-102183589-B | Method for detecting contents of dolasetron isomer and salt thereof | CHENGDU SINO STRONG PHARMACEUTICAL CO LTD | 2013-04-24 | — | — | CN | claimed |
| CN-101858892-B | Method for detecting landiolol hydrochloride optical isomers by high efficiency liquid chromatography | NANJING HICIN PHARMACEUTICAL CO LTD | 2013-04-10 | — | — | CN | claimed |
| CN-102183589-A | Method for detecting contents of dolasetron isomer and salt thereof | CHENGDU SINO STRONG PHARMACEUTICAL CO LTD | 2011-09-14 | — | — | CN | claimed |
| CN-101881755-A | Method for detecting esmolol hydrochlorid optical isomer by high efficiency liquid chromatography | NANJING HIGHSUN PHARMACEUTICAL CO LTD | 2010-11-10 | — | — | CN | claimed |
| CN-101858892-A | Method for detecting landiolol hydrochloride optical isomers by high efficiency liquid chromatography | NANJING HICIN PHARMACEUTICAL CO LTD | 2010-10-13 | — | — | CN | claimed |