Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 SCHEMBL20876013 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL28257629 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL8497583 | 0.97 | SMN1; SMN2 (0.50) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Heptane SCHEMBL4028291 | 0.97 | LMNA (0.56) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Pentane SCHEMBL8316107 | 0.93 | TSHR (0.50) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL23068705 | 0.93 | TSHR (0.54) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL9301737 | 0.93 | TSHR (0.54) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL9260176 | 0.93 | TSHR (0.54) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL2466815 | 0.93 | TSHR (0.54) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexane SCHEMBL42593 | 0.93 | TSHR (0.54) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107941959-B | Liquid chromatography method for separating ezetimibe and optical isomer thereof | 北京嘉林药业股份有限公司 | 2021-08-24 | — | — | CN | claimed |
| CN-107402259-B | Method for detecting chiral isomer in carfilzomib | 石药集团中奇制药技术（石家庄）有限公司 | 2020-10-13 | — | — | CN | claimed |
| CN-107402259-A | The detection method of chiral isomer in Carfilzomib | 石药集团中奇制药技术（石家庄）有限公司 | 2017-11-28 | — | — | CN | claimed |
| CN-106770877-A | A kind of detection method of bortezomib chiral isomer | 昆明贵研药业有限公司 | 2017-05-31 | — | — | CN | claimed |
| CN-105510482-A | Method for detecting content of isomer impurity in raw material for ticagrelor | CHENGDU BAIYU PHARMACEUTICAL CO LTD | 2016-04-20 | — | — | CN | claimed |
| EP-1968916-B1 | Process for the separation of optical isomers of the corey lactone | CHINOIN GYOGYSZER ES VEGYESZET (HU) | 2012-07-11 | — | — | EP | claimed |
| EP-0450504-A1 | Preparative chromatographic separation for the production of enantiomerically pure hetrazepines | BOEHRINGER INGELHEIM KG (DE) | 1991-10-09 | — | — | EP | claimed |
| CN-116559354-B | Method for detecting carfilzomib enantiomer by adopting reversed phase chromatography | 重庆药友制药有限责任公司 | 2024-07-12 | — | — | CN | disclosed |
| CN-117761200-A | Detection method for simultaneously detecting flurbiprofen axetil isomer and flurbiprofen isomer | 南京一诺医药科技有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-115327006-B | Method for detecting clopidogrel isomer | 成都施贝康生物医药科技有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-116559354-A | Method for detecting carfilzomib enantiomer by adopting reversed phase chromatography | 重庆药友制药有限责任公司 | 2023-08-08 | — | — | CN | disclosed |
| CN-115327006-A | Detection method of clopidogrel oxide isomer | 成都施贝康生物医药科技有限公司 | 2022-11-11 | — | — | CN | disclosed |
| CN-115032291-A | Detection method of atorvastatin calcium intermediate isomer | 杭州新博思生物医药有限公司 | 2022-09-09 | — | — | CN | disclosed |
| US-5990128-A | ADMINISTERING AN ANTAGONIST THAT BINDS TO A HUMAN ALPHA-1C ADRENERGIC RECEPTOR WITH A BINDING AFFINITY AT LEAST 691-FOLD HIGHER THAN THE BINDING AFFINITY WITH WHICH THE ANTAGONIST BINDS TO A HUMAN ALPHA-1B ADRENERGIC RECEPTOR | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 1999-11-23 | — | — | US | disclosed |
| US-5767131-A | TREATMENT OF BENIGN PROSTATIC HYPERPLASIA, INHIBITION OF CHOLESTEROL SYNTHESIS, LOWERING OF INTRAOCULAR PRESSURE; ALPHA-ADRENERGIC RECEPTOR DISEASES | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 1998-06-16 | — | — | US | disclosed |
| WO-1994022829-A2 | DIHYDROPYRIDINES AND NEW USES THEREOF | SYNAPTIC PHARMACEUTICAL CORPORATION (US) | 1994-10-13 | — | — | WO | disclosed |
| EP-0602814-A1 | Crystal forms of optically active isoindolines and their use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| US-5273978-A | 1-Oxo-2-(7-chloro-1,8-naphthyridin-2-yl)-3-(4-oxypiperidino -carbonylmethylene)isoindolines | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-12-28 | — | — | US | disclosed |
| EP-0529778-A1 | Optically active isoindoline derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-03-03 | — | — | EP | disclosed |
| EP-0450504-A1 | Preparative chromatographic separation for the production of enantiomerically pure hetrazepines | BOEHRINGER INGELHEIM KG (DE) | 1991-10-09 | — | — | EP | disclosed |