Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| Water SCHEMBL854587 | 1.00 | — | — | |
| SCHEMBL371051 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL27547868 | 0.83 | — | — | |
| SCHEMBL27854925 | 0.83 | — | — | |
| Water SCHEMBL4029249 | 0.73 | — | — | |
| Water SCHEMBL28212635 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27614972 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL11413422 | 0.67 | — | — | |
| Water SCHEMBL598083 | 0.62 | — | — | |
| Water SCHEMBL11403741 | 0.62 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102924289-B | Synthetic process of hydrochloric acid trientine | GUANGDONG AOERCHENG PHARMACEUTICAL CO LTD | 2014-11-12 | — | — | CN | claimed |
| CN-110202132-A | Halloysite-iron-nickel alloy composite material and preparation method thereof | 浙江省地质矿产研究所 | 2019-09-06 | — | — | CN | disclosed |
| CN-107037018-B | A kind of application of the lysosome positioning fluorescence probe in near-infrared ratio test hydrazine | 郑州大学 | 2019-07-30 | — | — | CN | disclosed |
| CN-109534948-A | A kind of novel preparation method of trans- dicyclohexyl octane liquid crystal compound | 烟台德润液晶材料有限公司 | 2019-03-29 | — | — | CN | disclosed |
| CN-108586285-A | A kind of preparation method of ketazine | 邹西红 | 2018-09-28 | — | — | CN | disclosed |
| CN-106349119-B | The method of coproduction biruea and sodium fluoride | 衡阳市锦轩化工有限公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-106748878-B | A kind of synthetic method of butanone azine | 陈翠芬 | 2018-07-31 | — | — | CN | disclosed |
| CN-108163819-A | A kind of tellurium bismuth is than tellurium bismuth combination materials for 1/1 and preparation method thereof | 怀化学院 | 2018-06-15 | — | — | CN | disclosed |
| CN-105788756-B | A kind of transparent metal conducting film and preparation method thereof | 浙江大学 | 2018-03-09 | — | — | CN | disclosed |
| CN-206583807-U | A kind of hydrazine hydrate half-quantitative detection kit | 慈溪市环境保护监测站 | 2017-10-24 | — | — | CN | disclosed |
| CN-102924289-B | Synthetic process of hydrochloric acid trientine | GUANGDONG AOERCHENG PHARMACEUTICAL CO LTD | 2014-11-12 | — | — | CN | disclosed |
| CN-103253661-B | Method for preparing graphene powder at large scale | SHANGHAI INSTITUTE OF MICROSYSTEM AND INFORMATION TECHNOLOGY, CHINESE ACADEMY OF SCIENCES (CN) | 2014-10-22 | — | — | CN | disclosed |
| CN-202638306-U | Low concentration hydrazine hydrate preparation device | ANHUI ALAND NEW ENERGY MAT CO | 2013-01-02 | — | — | CN | disclosed |
| CN-100469770-C | 5-substituted-pyrazine or -pyridine glucokinase activators | HOFFMANN LA ROCHE (CH) | 2009-03-18 | — | — | CN | disclosed |
| CN-1726197-A | 5-substituted-pyrazine or -pyridine glucokinase activators | HOFFMANN LA ROCHE (CH) | 2006-01-25 | — | — | CN | disclosed |
| US-6350749-B1 | SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-02-26 | — | — | US | disclosed |
| EP-1057812-A1 | AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-12-06 | — | — | EP | disclosed |
| CN-1040999-C | Process for elution of precious metals adsorbed on active carbon | UM ENGINEERING SA (BE) | 1998-12-02 | — | — | CN | disclosed |
| CN-1131442-A | Process for elution of precious metals adsorbed on active carbon | UM ENGINEERING SA (BE) | 1996-09-18 | — | — | CN | disclosed |
| CN-1105663-A | Method for preparing foaming agent 4,4'-para-sulfonyl hydrazine diphenyl ether | SUZHOU CHEMICAL INDUSTRY & AGR (CN) | 1995-07-26 | — | — | CN | disclosed |