Water

Water

SCHEMBL1993869

O.Oc1cc2c3cc(O)c(O)cc3c3cc(O)c(O)cc3c2cc1O

nearest known ligand 0.50

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
PKLR known ✓ P30613 2/20 0.36
KDR known ✓ P35968 2/20 0.35
THRB known ✓ P10828 1/20 0.33
SRC P12931 5/20 0.50
PRKACA P17612 2/20 0.50
PRKACG P22612 2/20 0.50
PRKACB P22694 2/20 0.50
APP P05067 1/20 0.39
BACE1 P56817 1/20 0.36
GALNT2 Q10471 1/20 0.36
GALNT1 Q10472 1/20 0.36
GALNT3 Q14435 1/20 0.36
GALNT10 Q86SR1 1/20 0.36
GALNT13 Q8IUC8 1/20 0.36
GALNT6 Q8NCL4 1/20 0.36
GALNT14 Q96FL9 1/20 0.36
TRPA1 O75762 1/20 0.35
IDO1 P14902 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 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 SCHEMBL29446320 1.00 SRC (0.50) SRCPRKACAPRKACGPRKACBAPP
Water SCHEMBL15941074 1.00 SRC (0.50) SRCPRKACAPRKACGPRKACBAPP
Water SCHEMBL29446319 1.00 SRC (0.50) SRCPRKACAPRKACGPRKACBAPP
SCHEMBL29393709 0.95 SRC (0.53) SRCPRKACAPRKACGPRKACBAPP
SCHEMBL212835 0.95 SRC (0.53) SRCPRKACAPRKACGPRKACBAPP
SCHEMBL29384353 0.95 SRC (0.53) SRCPRKACAPRKACGPRKACBAPP
Benzene SCHEMBL28568178 0.87 SRC (0.47) SRCPRKACAPRKACGPRKACBAPP
Chloroform SCHEMBL28449358 0.86 SRC (0.41) SRCPRKACAPRKACGPRKACBAPP
SCHEMBL31154139 0.84 SRC (0.45) SRCPRKACAPRKACGPRKACBAPP
SCHEMBL28907259 0.84 SRC (0.45) SRCPRKACAPRKACGPRKACBAPP

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 85 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117779471-A Flexible Ni-CAT@PDA-based photo-thermal composite material and preparation method and application thereof 陕西科技大学 2024-03-29 CN claimed
CN-117778016-A Preparation process of bio-based environment-friendly seal soil curing material 山东汉为环保科技有限公司 2024-03-29 CN claimed
CN-117402367-A Amorphous Zr-MOF material and preparation method of spherical nano ZrC derived from amorphous Zr-MOF material 南京工业大学 2024-01-16 CN claimed
CN-116874775-A Conjugated organic material BQBQ-COF, preparation method, positive electrode material, preparation method and application 深圳理工大学(筹) 2023-10-13 CN claimed
CN-114891461-B Electro-controllable adhesion hydrogel in humid environment and preparation method and application thereof 厦门大学 2023-08-11 CN claimed
CN-116426131-A MOFs-based photo-thermal composite material and application thereof 江苏理工学院 2023-07-14 CN claimed
CN-115636946-A Preparation method and application of metal-organic framework material with high exposed active sites 河南师范大学 2023-01-24 CN claimed
CN-114195124-B Porous carbon material, preparation method thereof and application thereof in sodium battery 山东大学 2023-01-17 CN claimed
CN-114976015-A Two-dimensional metal organic framework based composite electrode material, and preparation method and application thereof 巢湖学院 2022-08-30 CN claimed
CN-113244961-B Bimetallic CoCu-MOF visible light catalyst and preparation method and application thereof 上海师范大学 2022-08-30 CN claimed
CN-114891461-A Electrocontrolled adhesive hydrogel in humid environment and preparation method and application thereof 厦门大学 2022-08-12 CN claimed
CN-114195124-A Porous carbon material, preparation method thereof and application thereof in sodium battery 山东大学 2022-03-18 CN claimed
CN-110634684-B Preparation of flexible paper-based cerium dioxide nanowire-metal organic framework heterojunction 济南大学 2021-04-27 CN claimed
CN-110634684-A Preparation of flexible paper-based cerium dioxide nanowire-metal organic framework heterojunction 济南大学 2019-12-31 CN claimed
US-8178731-B2 Process for producing triphenylene compound and crystal obtained by the process WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-15 US claimed
US-20110201845-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-18 US claimed
US-7964757-B2 Process for producing triphenylene compound and crystal obtained by the process WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-21 US claimed
US-20100191020-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-29 US claimed
EP-2177495-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS Wako Pure Chemical Industries, Ltd. (JP) 2010-04-21 EP claimed
US-20250146966-A1 CONDUCTIVE COMPOSITIONS AND RELATED ARTICLES AND METHODS OF SENSING ANALYTES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2025-05-08 US disclosed
CN-119915878-A Electrochemical sensor for detecting xanthine, preparation method and application thereof 福建技术师范学院 2025-05-02 CN disclosed
WO-2025009921-A1 SEPARATOR COATING MATERIAL, COMPRISING CONDUCTIVE METAL-ORGANIC FRAMEWORK, FOR SECONDARY BATTERY, AND LITHIUM-SULFUR SECONDARY BATTERY COMPRISING SAME 이화여자대학교 산학협력단 2025-01-09 WO disclosed
US-20240384116-A1 MODIFIED EPOXY RESIN AND ELECTRODEPOSITION COATING MATERIAL KANSAI PAINT CO., LTD. (JP) 2024-11-21 US disclosed
CN-118620881-A Method for preparing high-crystallinity enzyme@MOF composite material based on phase inversion strategy 中山大学 2024-09-10 CN disclosed
CN-118515882-A CuZn-HHTP nano material and preparation method thereof 盐城工学院 2024-08-20 CN disclosed
EP-4410858-A1 MODIFIED EPOXY RESIN AND ELECTRODEPOSITION COATING MATERIAL Kansai Paint Co., Ltd. (JP) 2024-08-07 EP disclosed
CN-118103424-A Modified epoxy resin and electrodeposition paint 关西涂料株式会社 2024-05-28 CN disclosed
CN-118027431-A Photo-thermal material based on MOF, preparation method of photo-thermal material and solar two-stage interface evaporator 南方科技大学 2024-05-14 CN disclosed
CN-117779471-A Flexible Ni-CAT@PDA-based photo-thermal composite material and preparation method and application thereof 陕西科技大学 2024-03-29 CN disclosed
CN-117779471-A Flexible Ni-CAT@PDA-based photo-thermal composite material and preparation method and application thereof 陕西科技大学 2024-03-29 CN disclosed
CN-117778016-A Preparation process of bio-based environment-friendly seal soil curing material 山东汉为环保科技有限公司 2024-03-29 CN disclosed
US-20240092809-A1 HIGHLY THERMALLY CONDUCTIVE, ULTRA-LOW-K TWO-DIMENSIONAL COVALENT ORGANIC FRAMEWORK DIELECTRIC LAYERS UNIV NORTHWESTERN (US) 2024-03-21 US disclosed
CN-117402367-A Amorphous Zr-MOF material and preparation method of spherical nano ZrC derived from amorphous Zr-MOF material 南京工业大学 2024-01-16 CN disclosed
CN-117186434-A Copper-nickel bimetal organic framework material and preparation method and application thereof 南京邮电大学 2023-12-08 CN disclosed
US-20230341344-A1 CHEMIRESISTIVE SENSOR MODULE AND WIRELESS ELECTRONIC DEVICE AND IoT SYSTEM IUCF HYU (KR) 2023-10-26 US disclosed
CN-116874775-A Conjugated organic material BQBQ-COF, preparation method, positive electrode material, preparation method and application 深圳理工大学(筹) 2023-10-13 CN disclosed
CN-116874775-A Conjugated organic material BQBQ-COF, preparation method, positive electrode material, preparation method and application 深圳理工大学(筹) 2023-10-13 CN disclosed
CN-116819018-A Gas sensing material based on MOF/tin disulfide heterostructure and preparation method and application thereof 黄亦凡 2023-09-29 CN disclosed
US-20230288361-A1 CHEMIRESISTOR AND METHOD OF MANUFACTURING THE SAME AND CHEMIRESISTIVE SENSOR AND DEVICE IUCF-HYU (INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY) (KR) 2023-09-14 US disclosed
CN-114891461-B Electro-controllable adhesion hydrogel in humid environment and preparation method and application thereof 厦门大学 2023-08-11 CN disclosed
CN-116426131-A MOFs-based photo-thermal composite material and application thereof 江苏理工学院 2023-07-14 CN disclosed
CN-116426131-A MOFs-based photo-thermal composite material and application thereof 江苏理工学院 2023-07-14 CN disclosed
US-20230134156-A1 EPOXY RESIN AND ELECTRODEPOSITION PAINT KANSAI PAINT CO., LTD. (JP) 2023-05-04 US disclosed
EP-4130089-A1 EPOXY RESIN AND ELECTRODEPOSITION COATING Kansai Paint Co., Ltd (JP) 2023-02-08 EP disclosed
CN-115636946-A Preparation method and application of metal-organic framework material with high exposed active sites 河南师范大学 2023-01-24 CN disclosed
CN-115636946-A Preparation method and application of metal-organic framework material with high exposed active sites 河南师范大学 2023-01-24 CN disclosed
CN-114195124-B Porous carbon material, preparation method thereof and application thereof in sodium battery 山东大学 2023-01-17 CN disclosed
CN-115362193-A Epoxy resin and electrodeposition paint 关西涂料株式会社 2022-11-18 CN disclosed
CN-114976015-A Two-dimensional metal organic framework based composite electrode material, and preparation method and application thereof 巢湖学院 2022-08-30 CN disclosed
CN-113244961-B Bimetallic CoCu-MOF visible light catalyst and preparation method and application thereof 上海师范大学 2022-08-30 CN disclosed
CN-114891461-A Electrocontrolled adhesive hydrogel in humid environment and preparation method and application thereof 厦门大学 2022-08-12 CN disclosed
CN-111574722-B Photoconductive metal organic framework thin film material, preparation method and application thereof 中国科学院福建物质结构研究所 2022-04-19 CN disclosed
CN-114195124-A Porous carbon material, preparation method thereof and application thereof in sodium battery 山东大学 2022-03-18 CN disclosed
US-20210325336-A1 FIELD EFFECT TRANSISTOR, GAS SENSOR, AND MANUFACTURING METHOD THEREOF TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2021-10-21 US disclosed
CN-110634684-B Preparation of flexible paper-based cerium dioxide nanowire-metal organic framework heterojunction 济南大学 2021-04-27 CN disclosed
CN-109904519-B All-solid-state electrolyte material and preparation method and application thereof 北京理工大学 2021-04-13 CN disclosed
CN-111574722-A Photoconductive metal organic framework thin film material, preparation method and application thereof 中国科学院福建物质结构研究所 2020-08-25 CN disclosed
CN-110634684-A Preparation of flexible paper-based cerium dioxide nanowire-metal organic framework heterojunction 济南大学 2019-12-31 CN disclosed
EP-2555273-B1 ORGANIC ELECTRIC-FIELD LIGHT-EMITTING DEVICE MATERIAL, ORGANIC ELECTRIC-FIELD LIGHT-EMITTING DEVICE FORMED OF SAME, AND METHOD FOR MANUFACTURING ORGANIC ELECTRIC-FIELD LIGHT-EMITTING DEVICE UDC IRELAND LTD (IE) 2017-09-27 EP disclosed
US-9601705-B2 Material for organic electroluminescence element and organic electroluminescence element using the same, and method for manufacturing organic electroluminescence element UDC IRELAND LIMITED (IE) 2017-03-21 US disclosed
CN-101790504-B Process for producing triphenylene and crystal obtained by the process WAKO PURE CHEM IND LTD 2013-10-30 CN disclosed
US-20130033174-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENCE ELEMENT Universal Display Corporation Ireland Limited (UDI) (IE) 2013-02-07 US disclosed
EP-2555273-A1 ORGANIC ELECTRIC-FIELD LIGHT-EMITTING DEVICE MATERIAL, ORGANIC ELECTRIC-FIELD LIGHT-EMITTING DEVICE FORMED OF SAME, AND METHOD FOR MANUFACTURING ORGANIC ELECTRIC-FIELD LIGHT-EMITTING DEVICE FUJIFILM Corporation (JP) 2013-02-06 EP disclosed
US-8178731-B2 Process for producing triphenylene compound and crystal obtained by the process WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-15 US disclosed
US-8178731-B2 Process for producing triphenylene compound and crystal obtained by the process WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-15 US disclosed
US-20110201845-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-18 US disclosed
US-20110201845-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-08-18 US disclosed
US-7968155-B2 Optically anisotropic material, liquid crystal display device and triphenylene compound FUJIFILM CORPORATION (JP) 2011-06-28 US disclosed
US-7964757-B2 Process for producing triphenylene compound and crystal obtained by the process WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-21 US disclosed
US-7964757-B2 Process for producing triphenylene compound and crystal obtained by the process WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-06-21 US disclosed
US-20100191020-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-29 US disclosed
US-20100191020-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-07-29 US disclosed
CN-101790504-A Process for producing triphenylene and crystal obtained by the process WAKO PURE CHEM IND LTD 2010-07-28 CN disclosed
EP-2177495-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS Wako Pure Chemical Industries, Ltd. (JP) 2010-04-21 EP disclosed
EP-2177495-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS Wako Pure Chemical Industries, Ltd. (JP) 2010-04-21 EP disclosed
CN-1934223-B Optically anisotropic material, liquid crystal display device and triphenylene compound FUJI PHOTO FILM CO LTD 2010-04-21 CN disclosed
WO-2009020166-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-12 WO disclosed
US-7314654-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2008-01-01 US disclosed
US-20070281111-A1 Optically Anisotropic Material, Liquid Crystal Display Device and Triphenylene Compound FUJIFILM CORPORATION (JP) 2007-12-06 US disclosed
US-7273641-B2 Optically anisotropic element comprising discotic compound FUJIFILM CORPORATION (JP) 2007-09-25 US disclosed
CN-1934223-A Optically anisotropic material, liquid crystal display device and triphenylene compound FUJI PHOTO FILM CO LTD (JP) 2007-03-21 CN disclosed
WO-2005090275-A1 CRYSTAL OF HEXAHYDROXYTRIPHENYLENE MONOHYDRATE AND METHOD FOR PREPARATION THEREOF OTSUKA CHEMICAL CO., LTD. (JP) 2005-09-29 WO disclosed
WO-2005090519-A1 OPTICALLY ANISOTROPIC MATERIAL, LIQUID CRYSTAL DISPLAY DEVICE AND TRIPHENYLENE COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 2005-09-29 WO disclosed
US-20050181144-A1 Optically anisotropic element comprising discotic compound FUJI PHOTO FILM CO., LTD. (JP) 2005-08-18 US disclosed
US-20050163941-A1 Optically anisotropic element comprsing discotic compound FUJI PHOTO FILM CO., LTD. (JP) 2005-07-28 US disclosed
US-20050163941-A1 Optically anisotropic element comprsing discotic compound FUJI PHOTO FILM CO., LTD. (JP) 2005-07-28 US 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 (5 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-20070281111-A1 Optically Anisotropic Material, Liquid Crystal Display Device and Triphenylene Compound DVL1, DVL3, FZD7 PKLR 1152/4885KDR 1212/4885THRB 4283/4885
US-20050163941-A1 Optically anisotropic element comprsing discotic compound DYNLL1, DYNLL2, DYNC1I2 PKLR 934/4885KDR 4336/4885THRB 3655/4885
US-20100191020-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS HPD, GRHPR, PAH PKLR 766/4885KDR 992/4885THRB 779/4885
US-20240092809-A1 HIGHLY THERMALLY CONDUCTIVE, ULTRA-LOW-K TWO-DIMENSIONAL COVALENT ORGANIC FRAMEWORK DIELECTRIC LAYERS KCNK2, KCNJ4, KCNK4 PKLR 1752/4885KDR 851/4885THRB 4853/4885
US-20110201845-A1 PROCESS FOR PRODUCING TRIPHENYLENE COMPOUND AND CRYSTAL OBTAINED BY THE PROCESS HPD, GRHPR, PAH PKLR 766/4885KDR 992/4885THRB 779/4885

“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.