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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29263408 | 0.97 | — | — | |
| SCHEMBL198 | 0.96 | — | — | |
| SCHEMBL288066 | 0.96 | — | — | |
| SCHEMBL11480259 | 0.96 | — | — | |
| SCHEMBL18813405 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL28844129 | 0.93 | — | — | |
| Fluoride SCHEMBL28250588 | 0.93 | — | — | |
| SCHEMBL27951792 | 0.93 | — | — | |
| SCHEMBL27540763 | 0.93 | — | — | |
| Ethylene SCHEMBL6705461 | 0.90 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113588851-B | Method for extracting and measuring dithiocarbamic acid ester, measuring device and application thereof | 福建中烟工业有限责任公司 | 2023-06-09 | — | — | CN | claimed |
| CN-113588851-A | Method for extracting and determining dithiocarbamate, determination device and application thereof | 福建中烟工业有限责任公司 | 2021-11-02 | — | — | CN | claimed |
| CN-110105682-A | A kind of high performance PP plastics and preparation method thereof | 王德秀 | 2019-08-09 | — | — | CN | claimed |
| CN-110041631-A | A kind of wear-resistant plastic of modification and preparation method thereof | 王德秀 | 2019-07-23 | — | — | CN | claimed |
| CN-118225940-A | Method for determining content of oligonucleotides in biological matrix | 北京昭衍新药研究中心股份有限公司 | 2024-06-21 | — | — | CN | disclosed |
| CN-113588851-B | Method for extracting and measuring dithiocarbamic acid ester, measuring device and application thereof | 福建中烟工业有限责任公司 | 2023-06-09 | — | — | CN | disclosed |
| CN-113588851-B | Method for extracting and measuring dithiocarbamic acid ester, measuring device and application thereof | 福建中烟工业有限责任公司 | 2023-06-09 | — | — | CN | disclosed |
| CN-115505027-A | Fluorescent dipeptide molecule self-assembly and application thereof in circular polarization luminescence | 苏州欧德丽尔新材料科技有限公司 | 2022-12-23 | — | — | CN | disclosed |
| CN-115436554-A | Exposure simulation device and method for plant leaf surface to absorb micro/nano plastic in atmosphere | 南开大学 | 2022-12-06 | — | — | CN | disclosed |
| CN-113588851-A | Method for extracting and determining dithiocarbamate, determination device and application thereof | 福建中烟工业有限责任公司 | 2021-11-02 | — | — | CN | disclosed |
| CN-113588851-A | Method for extracting and determining dithiocarbamate, determination device and application thereof | 福建中烟工业有限责任公司 | 2021-11-02 | — | — | CN | disclosed |
| CN-110105682-A | A kind of high performance PP plastics and preparation method thereof | 王德秀 | 2019-08-09 | — | — | CN | disclosed |
| CN-110041631-A | A kind of wear-resistant plastic of modification and preparation method thereof | 王德秀 | 2019-07-23 | — | — | CN | disclosed |
| US-9061042-B2 | Composition for suppressing expression of target gene | KYOWA HAKKO KIRIN CO., LTD. (JP) | 2015-06-23 | — | — | US | disclosed |
| CN-101885847-B | Method for preparing organophosphorus sensitive polymer material by introducing hexafluoroisopropanol functional group into polymer | UNIV ELECTRONIC SCIENCE & TECH | 2012-07-04 | — | — | CN | disclosed |
| US-20110182980-A1 | COMPOSITION FOR SUPPRESSING EXPRESSION OF TARGET GENE | KYOWA KIRIN CO., LTD. (JP) | 2011-07-28 | — | — | US | disclosed |
| CN-101885847-A | Method for preparing organophosphorus sensitive polymer material by introducing hexafluoroisopropanol functional group into polymer | UNIV ELECTRONIC SCIENCE & TECH | 2010-11-17 | — | — | CN | disclosed |
| US-4063090-A | Method for isotope separation by photodeflection | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES ENERGY RESEARCH AND DEVELOPMENT ADMINISTRATION (US) | 1977-12-13 | — | — | US | disclosed |