Water

Water

SCHEMBL5818873

CC(=O)ON(CCN(OC(C)=O)OC(C)=O)OC(C)=O.O.O.O.O.[Na].[Na].[Na].[Na]

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 20)

geneUniProtsupporting neighboursconfidence
CHRM1 known ✓ P11229 3/20 0.32
CHRM5 known ✓ P08912 2/20 0.32
CHRM3 known ✓ P20309 2/20 0.32
CHRM2 known ✓ P08172 2/20 0.32
CHRM4 known ✓ P08173 2/20 0.32
HTR1A known ✓ P08908 1/20 0.32
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TBXA2R P21731 2/20 0.32
PGR P06401 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32

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 SCHEMBL11682877 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL15657017 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL6374690 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL10445476 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL8972626 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL1990945 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL38663444 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL4433470 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL12274253 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL31257260 0.97 ALDH1A1 (0.32) ALDH1A1LMNATSHRHSD17B10CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118077960-B Cigarette holder filter stick and preparation method thereof QINGDAO RONGCHEN HEALTH TECHNOLOGY Co.,Ltd. (CN) 2026-05-26 CN claimed
CN-119230796-A Anionic and cationic co-doped ferric sodium pyrophosphate positive electrode material, preparation method thereof and sodium ion battery 贵州为方能源新材料科技有限公司 2024-12-31 CN claimed
US-5314823-A Solution of protease, glycerol, anionic surfactant and sodium EDTA TOMEI SANGYO KABUSHIKI KAISHA (JP) 1994-05-24 US claimed
JP-11319518-A None JP disclosed
CN-118077960-B Cigarette holder filter stick and preparation method thereof QINGDAO RONGCHEN HEALTH TECHNOLOGY Co.,Ltd. (CN) 2026-05-26 CN disclosed
CN-120153053-A Hydrotrope cleaning compositions 陶氏环球技术有限责任公司 2025-06-13 CN disclosed
CN-120129707-A Solid particles of silicone-functional copolymer, method for producing same, and cosmetic containing same 陶氏东丽株式会社 2025-06-10 CN disclosed
CN-119855496-A Aqueous antimicrobial compositions 陶氏环球技术有限责任公司 2025-04-18 CN disclosed
CN-119836457-A Two-component curable adhesive composition 汉高股份有限及两合公司 2025-04-15 CN disclosed
CN-119522273-A Cleaning composition for recycling plastics 陶氏环球技术有限责任公司 2025-02-25 CN disclosed
CN-119230796-A Anionic and cationic co-doped ferric sodium pyrophosphate positive electrode material, preparation method thereof and sodium ion battery 贵州为方能源新材料科技有限公司 2024-12-31 CN disclosed
CN-1196469-C Surfactant for use in external preparations for skin and external preparation for skin containing the same SHOWA DENKO KK (JP) 2005-04-13 CN disclosed
US-6777436-B2 SYNERGISTIC MIXTURE OF ANGIOTENSIN INHIBITORS, BORIC ACID, ETHYLENEDIAMINETETRAACETIC ACID AND ACTIVE DRUG SANKYO COMPANY, LIMITED (JP) 2004-08-17 US disclosed
US-20020147211-A1 Intraocular tension lowering compositions for topical administration SANKYO COMPANY, LIMITED (JP) 2002-10-10 US disclosed
EP-1186302-A1 OCULAR TENSION LOWERING COMPOSITION FOR TOPICAL ADMINSTRATION Sankyo Company, Limited (JP) 2002-03-13 EP disclosed
CN-1303267-A Surfactant for external preparation for skin and external preparation for skin containing the same SHOWA DENKO KK (JP) 2001-07-11 CN disclosed
JP-H11319518-A METHOD FOR WASHING AND REGENERATING SEPARATION MEMBRANE OR MODULE KUMAMOTO PREFECTURE 1999-11-24 JP disclosed
EP-0586741-B1 Method for cleaning a contact lens TOMEI SANGYO KK (JP) 1998-08-05 EP disclosed
US-5314823-A Solution of protease, glycerol, anionic surfactant and sodium EDTA TOMEI SANGYO KABUSHIKI KAISHA (JP) 1994-05-24 US disclosed
EP-0586741-A1 Method for cleaning a contact lens Tomei Sangyo Kabushiki Kaisha (JP) 1994-03-16 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020147211-A1 Intraocular tension lowering compositions for topical administration AGT, ECE1, AGTR1 CHRM1 1337/4885CHRM5 1184/4885CHRM3 705/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.