Water

Water

SCHEMBL1053573

O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[O-]B([O-])O

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

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.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Water SCHEMBL1047336 1.00 LMNA (0.33) LMNATSHRTDP1
Boric Acid SCHEMBL28249059 0.94 LMNA (0.44) LMNATSHRTDP1
Boric Acid SCHEMBL166966 0.94 LMNA (0.44) LMNATSHRTDP1
Boric Acid SCHEMBL27280839 0.94 LMNA (0.44) LMNATSHRTDP1
Boric Acid SCHEMBL1523697 0.94 LMNA (0.44) LMNATSHRTDP1
Boric Acid SCHEMBL29114558 0.94 LMNA (0.44) LMNATSHRTDP1
Boric Acid SCHEMBL7887031 0.94 LMNA (0.44) LMNATSHRTDP1
Boric Acid SCHEMBL108232 0.94 LMNA (0.44) LMNATSHRTDP1
Boric Acid SCHEMBL8461889 0.94 LMNA (0.44) LMNATSHRTDP1
Boric Acid SCHEMBL27816797 0.94 LMNA (0.44) LMNATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111250252-B Grinding aid for thermoplastic grinding process and grinding equipment 浙江瑞堂塑料科技股份有限公司 2021-07-09 CN claimed
CN-112743706-A Thermoplastic plastic grinding process 上海丽科高分子材料有限公司 2021-05-04 CN claimed
CN-111250252-A Grinding aid for thermoplastic grinding process and grinding equipment 浙江瑞堂塑料科技股份有限公司 2020-06-09 CN claimed
CN-111250252-B Grinding aid for thermoplastic grinding process and grinding equipment 浙江瑞堂塑料科技股份有限公司 2021-07-09 CN disclosed
CN-112743706-A Thermoplastic plastic grinding process 上海丽科高分子材料有限公司 2021-05-04 CN disclosed
CN-111250252-A Grinding aid for thermoplastic grinding process and grinding equipment 浙江瑞堂塑料科技股份有限公司 2020-06-09 CN disclosed
US-20170144940-A1 HIGH CALCIUM FERTILIZER COMPOSITION VERDESIAN LIFE SCIENCES U.S., LLC (US) 2017-05-25 US disclosed
US-8679752-B2 Compositions and methods for detecting food-borne pathogens INFRAEGIS, INC. (US) 2014-03-25 US disclosed
US-20130062274-A1 Compositions and Methods for Detecting Food-Borne Pathogens INFRAEGIS, INC. (US) 2013-03-14 US disclosed
US-8278041-B2 Compositions and methods for detecting food-borne pathogens INFRAEGIS, INC. (US) 2012-10-02 US disclosed
US-20110021349-A1 DITHIOCARBAMATES AND PHOSPHITE FORMULATIONS PLANT PROTECTANTS, LLC (US) 2011-01-27 US disclosed
US-7163610-B2 Conductive media for electrophoresis FASTER BETTER MEDIA LLC (US) 2007-01-16 US disclosed
US-20060283223-A1 Dithiocarbamates and phosphite formulations PLANT PROTECTANTS, LLC (US) 2006-12-21 US disclosed
WO-2006127954-A2 DITHIOCARBAMATES AND PHOSPHITE FORMULATIONS PLANT PROTECTANTS, LLC (US) 2006-11-30 WO disclosed
EP-1655275-A2 Fertilizer composition containing calcium phosphite Biagro Western Sales Inc. (US) 2006-05-10 EP disclosed
US-20060084573-A1 High calcium fertilizer composition BIAGRO WESTERN SALES, INC. (US) 2006-04-20 US disclosed
WO-2005050161-A2 CONDUCTIVE MEDIA FOR ELECTROPHORESIS FASTER BETTER MEDIA LLC (US) 2005-06-02 WO disclosed
US-20050109620-A1 Conductive media for electrophoresis FASTER BETTER MEDIA LLC (US) 2005-05-26 US disclosed
US-5552299-A ANTICOAGULANT BIOGAL GYOGYSZERGYAR RT. (HU) 1996-09-03 US disclosed
EP-0576792-A2 Plasmids and process for producing recombinant desulphatohirudin HV-1 peptide BIOGAL GYOGYSZERGYAR RT. (HU) 1994-01-05 EP disclosed