Dioxane

Dioxane

SCHEMBL271366

C1COCCO1.CN(C)C=O.O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Dioxane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
TTR P02766 1/20 0.38

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.

Compoundsimilaritytop predictedshared targets
Dimethylformamide SCHEMBL11296326 0.97 TSHR (0.60) TSHRTTR
Dioxane SCHEMBL1072446 0.97 TSHR (0.60) TSHRTTR
Dimethylformamide SCHEMBL10559930 0.94
Dioxane SCHEMBL28817546 0.91 TSHR (0.53) TSHRTTR
Dimethylformamide SCHEMBL23322519 0.85 TSHR (0.53) TSHR
Tetrahydrofuran SCHEMBL129722 0.85 TSHR (0.53) TSHR
Dioxane SCHEMBL6550359 0.84 TSHR (0.45) TSHRTTR
Tetrahydrofuran SCHEMBL28743802 0.82 TSHR (0.50) TSHR
Dimethylformamide SCHEMBL1072443 0.82 TSHR (0.50) TSHR
Dioxane SCHEMBL16719050 0.82 TSHR (0.43) TSHR

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773485-B1 STABLE COMPOSITE MATERIAL COMPRISING SUPPORTED POROUS GELS NATRIX SEPARATIONS INC (CA) 2015-09-16 EP disclosed
EP-1758671-B9 MEMBRANE STACKS NATRIX SEPARATIONS INC (CA) 2014-02-19 EP disclosed
US-8652849-B2 Method for separating a substance from a fluid NATRIX SEPARATIONS INC. (CA) 2014-02-18 US disclosed
EP-1758671-B1 MEMBRANE STACKS NATRIX SEPARATIONS INC (CA) 2013-09-04 EP disclosed
US-8383782-B2 Composite materials comprising supported porous gels NATRIX SEPARATIONS INC. (CA) 2013-02-26 US disclosed
US-8367809-B2 Composite materials comprising supported porous gels containing reactive functional groups NATRIX SEPARATIONS INC. (CA) 2013-02-05 US disclosed
US-8313651-B2 Membrane stacks NATRIX SEPARATIONS INC. (CA) 2012-11-20 US disclosed
US-8211682-B2 Composite material comprising supported porous gel containing functional groups and method of separating substances NATRIX SEPARATIONS INC. (CA) 2012-07-03 US disclosed
US-8206982-B2 Composite materials comprising supported porous gels containing reactive functional groups NATRIX SEPARATIONS INC. (CA) 2012-06-26 US disclosed
US-8206958-B2 Absorbing biological substances from liquid with supported porous gels containing binding sites NATRIX SEPARATIONS INC. (CA) 2012-06-26 US disclosed
US-20090032463-A1 COMPOSITE MATERIALS COMPRISING SUPPORTED POROUS GELS MERCK MILLIPORE LTD. (IE) 2009-02-05 US disclosed
US-20090035552-A1 COMPOSITE MATERIALS COMPRISING SUPPORTED POROUS GELS MERCK MILLIPORE LTD. (IE) 2009-02-05 US disclosed
US-20090029438-A1 COMPOSITE MATERIALS COMPRISING SUPPORTED POROUS GELS MERCK MILLIPORE LTD. (IE) 2009-01-29 US disclosed
US-20090008328-A1 Composite Materials Comprising Supported Porous Gels NATRIX SEPARATIONS INC. (CA) 2009-01-08 US disclosed
US-20080314831-A1 Composite Materials Comprising Supported Porous Gels NYSA MEMBRANCE TECHNOLOGIES INC. (CA) 2008-12-25 US disclosed
US-20080312416-A1 Composite Materials Comprising Supported Porous Gels NYSA MEMBRANE TECHNOLOGIES INC. (CA) 2008-12-18 US disclosed
US-20080264867-A1 Stable Composite Material Comprising Supported Porous Gels NYSA MEMBRANE TECHNOLOGIES INC. 2008-10-30 US disclosed
US-20080017578-A1 Membrane Stacks MERCK MILLIPORE LTD. (IE) 2008-01-24 US disclosed
US-7316919-B2 Composite materials comprising supported porous gels NYSA MEMBRANE TECHNOLOGIES (CA) 2008-01-08 US disclosed
US-20040203149-A1 Composite materials comprising supported porous gels MERCK MILLIPORE LTD. (IE) 2004-10-14 US disclosed