Water

Water

SCHEMBL6535893

O.Oc1ncccn1

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Ammonia Solution, Strong SCHEMBL28204113 0.96
SCHEMBL95952 0.96
Fluoride SCHEMBL28283921 0.92
Potassium SCHEMBL30168527 0.92
SCHEMBL27588866 0.92
Ammonia Solution, Strong SCHEMBL28055610 0.92
SCHEMBL28508440 0.92
Hydrochloric Acid SCHEMBL1026361 0.92
SCHEMBL30168529 0.92
SCHEMBL27857667 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112347-A4 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS NORTHWEST PLANT BREEDING CO (US) 2004-09-29 EP claimed
EP-1206524-A4 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS NORTHWEST PLANT BREEDING CO (US) 2004-09-29 EP claimed
US-6764854-B2 PROPAGATING PLANTS; OBTAIN SPORE, EXPOSE TO STRESS, INCUBATE WITH INDUCER, RECOVER AND CULTURE SPORE NORTHWEST PLANT BREEDING COMPANY 2004-07-20 US claimed
US-20020151057-A1 Methods for generating doubled haploid maize plants NORTHWEST PLANT BREEDING CO. 2002-10-17 US claimed
US-20020104128-A1 Methods for generating doubled haploid plants NORTHWEST PLANT BREEDING COMPANY 2002-08-01 US claimed
WO-2002052926-A2 METHODS FOR GENERATING DOUBLED HAPLOID MAIZE PLANTS NORTHWEST PLANT BREEDING CO. (US) 2002-07-11 WO claimed
EP-1206524-A2 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS Northwest Plant Breeding Co. (US) 2002-05-22 EP claimed
US-6362393-B1 Methods for generating doubled haploid plants NORTHWEST PLANT BREEDING COMPANY 2002-03-26 US claimed
EP-1112347-A1 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS Northwest Plant Breeding Co. (US) 2001-07-04 EP claimed
WO-2001014518-A2 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS NORTHWEST PLANT BREEDING CO. (US) 2001-03-01 WO claimed
WO-2000014202-A1 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS NORTHWEST PLANT BREEDING COMPANY (US) 2000-03-16 WO claimed
EP-1206524-A4 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS NORTHWEST PLANT BREEDING CO (US) 2004-09-29 EP disclosed
EP-1112347-A4 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS NORTHWEST PLANT BREEDING CO (US) 2004-09-29 EP disclosed
US-6764854-B2 PROPAGATING PLANTS; OBTAIN SPORE, EXPOSE TO STRESS, INCUBATE WITH INDUCER, RECOVER AND CULTURE SPORE NORTHWEST PLANT BREEDING COMPANY 2004-07-20 US disclosed
US-20020151057-A1 Methods for generating doubled haploid maize plants NORTHWEST PLANT BREEDING CO. 2002-10-17 US disclosed
EP-1206524-A2 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS Northwest Plant Breeding Co. (US) 2002-05-22 EP disclosed
US-6362393-B1 Methods for generating doubled haploid plants NORTHWEST PLANT BREEDING COMPANY 2002-03-26 US disclosed
EP-1112347-A1 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS Northwest Plant Breeding Co. (US) 2001-07-04 EP disclosed
WO-2001014518-A2 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS NORTHWEST PLANT BREEDING CO. (US) 2001-03-01 WO disclosed
WO-2000014202-A1 METHODS FOR GENERATING DOUBLED HAPLOID PLANTS NORTHWEST PLANT BREEDING COMPANY (US) 2000-03-16 WO disclosed