Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Ether. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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 | |
|---|---|---|---|---|
| Ether SCHEMBL712930 | 1.00 | — | — | |
| Ether SCHEMBL10949974 | 0.96 | — | — | |
| Ether SCHEMBL3506897 | 0.93 | ALDH1A1 (0.38) | — | |
| Ether SCHEMBL3504839 | 0.90 | ALDH1A1 (0.43) | — | |
| Ether SCHEMBL20702262 | 0.87 | ALDH1A1 (0.48) | — | |
| Ether SCHEMBL3667372 | 0.87 | ALDH1A1 (0.48) | — | |
| Ether SCHEMBL9901010 | 0.87 | ALDH1A1 (0.30) | — | |
| Acetonitrile SCHEMBL28114814 | 0.86 | ALDH1A1 (0.45) | — | |
| Ether SCHEMBL11167561 | 0.85 | — | — | |
| Ether SCHEMBL1035743 | 0.83 | ALDH1A1 (0.44) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114184776-B | Silage aflatoxin detection kit and detection method | 黑龙江省农业科学院畜牧兽医分院 | 2024-07-16 | — | — | CN | disclosed |
| CN-114184776-A | Silage aflatoxin detection kit and detection method | 李旭业 | 2022-03-15 | — | — | CN | disclosed |
| CN-101044123-A | Pyrimidine derivatives condensed with non-aromatic rings | ASTELLAS PHARMA INC (JP) | 2007-09-26 | — | — | CN | disclosed |
| EP-1124801-B1 | PIPERIDINE AND PYRROLIDINE DERIVATIVES COMPRISING A NITRIC OXIDE DONOR FOR TREATING STRESS | OXON MEDICA INC (US) | 2004-09-22 | — | — | EP | disclosed |
| US-6759430-B2 | FREE RADICAL SCAVENGER FOR USE IN TREATMENT OF OXIDATIVE STRESS OR ENDOTHELIAL DYSFUNCTION, PREFERABLY DIABETES MELLITUS OR CARDIOVASCULAR DISEASE | OXON MEDICA INC. | 2004-07-06 | — | — | US | disclosed |
| US-20030069429-A1 | Piperidine and pyrrolidine derivatives comprising a nitric oxide donor for treating stress | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2003-04-10 | — | — | US | disclosed |
| US-6455542-B1 | PYRROLIDINE OR PIPERIDINE OR AZEPINE DERIVATIVES CONTAINING NITRATE GROUP USEFUL FOR TREATING A CONDITION ASSOCIATED WITH OXIDATIVE STRESS OR ENDOTHELIAL DYSFUNCTION, SUCH AS DIABETES MELLITUS OR CARDIOVASCULAR DISEASE | OXON MEDICA INC. | 2002-09-24 | — | — | US | disclosed |
| US-6448267-B1 | CONTAINING SUPEROXIDE SCAVENGING MOIETY IN SAME MOLECULE; AVOIDING HIGH LEVELS OF PEROXYNITRITE AND OXIDANT METABO-LITES; TREATMENT OF OXIDATIVE STRESS OR ENDOTHELIAL DYSFUNCTION | OXON MEDICA, INC. | 2002-09-10 | — | — | US | disclosed |
| US-20020091266-A1 | Piperidine and pyrrolidine derivatives comprising a nitric oxide donor for treating stress | PARALLEL WIRELESS, INC. | 2002-07-11 | — | — | US | disclosed |
| EP-1124801-A1 | PIPERIDINE AND PYRROLIDINE DERIVATIVES COMPRISING A NITRIC OXIDE DONOR FOR TREATING STRESS | Anggard, Erik Emil (GB) | 2001-08-22 | — | — | EP | disclosed |
| WO-1999037616-A1 | PIPERIDINE AND PYRROLIDINE DERIVATIVES COMPRISING A NITRIC OXIDE DONOR FOR TREATING STRESS | AENGGAARD ERIK EMIL (GB) | 1999-07-29 | — | — | WO | disclosed |