Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.70 |
| ▸ | THRB | P10828 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 5/20 | 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 |
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 | |
|---|---|---|---|---|
| Heptane SCHEMBL17968619 | 0.95 | TSHR (0.80) | TSHRTHRBLMNASLC22A1DNM1 | |
| Hexane SCHEMBL29211041 | 0.89 | TSHR (0.70) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL28591976 | 0.89 | — | — | |
| Hexane SCHEMBL28106493 | 0.89 | — | — | |
| Hexane SCHEMBL29049162 | 0.89 | TSHR (0.70) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL9449321 | 0.89 | TSHR (0.70) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL971232 | 0.89 | TSHR (0.70) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL14141588 | 0.89 | — | — | |
| Hexane SCHEMBL8079333 | 0.89 | TSHR (0.70) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL28099489 | 0.89 | TSHR (0.70) | TSHRTHRBLMNASLC22A1SLC22A2 |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116519174-A | Capacitive pressure sensor and preparation method thereof | 郑州大学 | 2023-08-01 | — | — | CN | claimed |
| CN-104710284-A | Method for preparing 2,2'-dihydroxy diphenyl | UNIV NANJING SCIENCE & TECH | 2015-06-17 | — | — | CN | claimed |
| CN-104591741-A | Method for preparing SiNCB ceramic material | HARBIN INST OF TECHNOLOGY | 2015-05-06 | — | — | CN | claimed |
| CN-117820648-A | SiBCN ceramic precursor and preparation method and application thereof | 国投陶瓷基复合材料研究院(西安)有限公司 | 2024-04-05 | — | — | CN | disclosed |
| CN-116519174-A | Capacitive pressure sensor and preparation method thereof | 郑州大学 | 2023-08-01 | — | — | CN | disclosed |
| CN-115819408-A | Method for highly selectively synthesizing rosuvastatin key intermediate | 宿迁阿尔法科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-115710157-A | Fluorine-containing compound initiated by hindered free radical pair and preparation method and application thereof | 吉林大学 | 2023-02-24 | — | — | CN | disclosed |
| CN-114805414-A | Method for synthesizing tetrafluoro aryl borate through continuous flow reaction | 孟祥梅 | 2022-07-29 | — | — | CN | disclosed |
| CN-114507256-A | Chiral isomer of Rudexiluwei process, preparation method and application thereof | 上海医药集团股份有限公司 | 2022-05-17 | — | — | CN | disclosed |
| CN-107880182-B | Catalyst component for olefin polymerization, preparation method thereof and catalyst | 中国石油化工股份有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-107880179-B | Catalyst component for olefin polymerization, preparation method thereof and catalyst | 中国石油化工股份有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-102372799-B | Catalyst ingredient used for alkene polymerization and preparation method thereof | CHINA PETROLEUM & CHEMICAL | 2013-03-27 | — | — | CN | disclosed |
| CN-102453169-B | Catalyst ingredient for olefin polymerization and preparation method thereof | CHINA PETROLEUM & CHEMICAL | 2013-02-27 | — | — | CN | disclosed |
| CN-102504269-A | Preparation method of polyborosilazane precursor | NAT UNIV DEFENSE TECHNOLOGY | 2012-06-20 | — | — | CN | disclosed |
| CN-102453169-A | Catalyst component for olefin polymerization and preparation method thereof | CHINA PETROLEUM & CHEMICAL | 2012-05-16 | — | — | CN | disclosed |
| CN-102372799-A | Catalyst ingredient used for alkene polymerization and preparation method thereof | CHINA PETROLEUM & CHEMICAL | 2012-03-14 | — | — | CN | disclosed |
| CN-101842409-A | Salt compound, cationic polymerization initiator and cationically polymerizable composition | ADEKA CORP | 2010-09-22 | — | — | CN | disclosed |
| EP-0922708-B1 | Production method of borate compounds | SHOWA DENKO KK (JP) | 2003-05-14 | — | — | EP | disclosed |
| US-6002044-A | REACTING A LITHIUM OR MAGNEISIUM, A HALIDE AND A BORONATE PRECURSOR OBTAINED IN A FIRSST SIMILAR STEP USING A BORIDE; ADDING AN ONIIUM HALIDE TO THE METAL BORATE; PURITY | SHOWA DENKO K.K. (JP) | 1999-12-14 | — | — | US | disclosed |
| EP-0922708-A2 | Production method of borate compounds | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1999-06-16 | — | — | EP | disclosed |