Water

Water

SCHEMBL1990945

CC(=O)ON(CCN(OC(C)=O)OC(C)=O)OC(C)=O.O.O.[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 SCHEMBL38663444 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL4433470 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL12274253 1.00 ALDH1A1 (0.33) ALDH1A1LMNATSHRHSD17B10CHRM1
Water SCHEMBL5818873 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 322 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121796660-B Postoperative drainage abdomen pad and preparation method thereof 金士达医疗(咸宁)有限公司 2026-05-19 CN claimed
CN-120193264-A Method for reducing electroless copper plating and diffusion plating of laser activated flexible substrate 电子科技大学 2025-06-24 CN claimed
CN-119224289-B Six-color lymph subgroup absolute count freeze-dried pellet and preparation method and application thereof 江西德普生物技术有限公司 2025-04-01 CN claimed
CN-119708951-A Scale inhibition coating and scale inhibition coating 佛山市法恩洁具有限公司 2025-03-28 CN claimed
CN-118703415-B Fermentation medium and application thereof in preparation of teriparatide 亿帆医药(上海)有限公司 2025-02-14 CN claimed
CN-119224289-A Six-color lymph subgroup absolute count freeze-dried pellet and preparation method and application thereof 江西德普生物技术有限公司 2024-12-31 CN claimed
CN-119161984-A Breast milk microorganism normal-temperature preservation solution and preparation method and application thereof 艾德范思(北京)医学检验实验室有限公司 2024-12-20 CN claimed
CN-119080720-A Method and device for extracting and separating fucoxanthin, docosahexaenoic acid and polysaccharide from dinoflagellate FQZ-2 such as fresh water 福建师范大学 2024-12-06 CN claimed
CN-114411414-B Palladium-free electroless copper plating method for surface of flexible nanofiber membrane 武汉纺织大学 2024-10-25 CN claimed
CN-118703415-A Fermentation medium and application thereof in preparation of teriparatide 亿帆医药(上海)有限公司 2024-09-27 CN claimed
CN-116656778-A Sample preservation solution capable of digesting mucin 郑州安图生物工程股份有限公司 2023-08-29 CN claimed
CN-116445333-A Bacillus megaterium WMX and application thereof in agar desulfurization 中国海洋大学 2023-07-18 CN claimed
CN-116377714-A Composite graphene non-woven fabric, preparation method and application thereof 江苏欣晨雅新材料有限公司 2023-07-04 CN claimed
CN-116370335-A Virus protection solution for wiping and virus protection wiping product 康码(上海)生物科技有限公司 2023-07-04 CN claimed
CN-116328103-A Automatic injector and injection spring for aged pre-filled syringe 梯瓦制药国际有限责任公司 2023-06-27 CN claimed
CN-116083418-A Magnetic bead type nucleic acid extraction kit and method for extracting nucleic acid 无锡市申瑞生物制品有限公司 2023-05-09 CN claimed
CN-114594243-A high-pH antigen repairing buffer solution adapted to full-automatic immunohistochemical staining machine and preparation method thereof 浙江莱阅病理诊断科技有限公司 2022-06-07 CN claimed
US-6777436-B2 SYNERGISTIC MIXTURE OF ANGIOTENSIN INHIBITORS, BORIC ACID, ETHYLENEDIAMINETETRAACETIC ACID AND ACTIVE DRUG SANKYO COMPANY, LIMITED (JP) 2004-08-17 US claimed
US-20020147211-A1 Intraocular tension lowering compositions for topical administration SANKYO COMPANY, LIMITED (JP) 2002-10-10 US claimed
US-5314823-A Solution of protease, glycerol, anionic surfactant and sodium EDTA TOMEI SANGYO KABUSHIKI KAISHA (JP) 1994-05-24 US claimed

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.