Water

Water

SCHEMBL108075

O.O=S(=O)(O)CCN1CCOCC1

nearest known ligand 0.96

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 19)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.50
KMT2A Q03164 2/20 0.50
GLA P06280 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
KEAP1 Q14145 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
PAOX Q6QHF9 1/20 0.39
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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 SCHEMBL1157088 1.00 KMT2A (0.50) KMT2AMEN1GLAKDM4EALDH1A1
Water SCHEMBL659931 1.00 KMT2A (0.50) KMT2AMEN1GLAKDM4EALDH1A1
SCHEMBL6200 0.98 KMT2A (0.51) KMT2AMEN1GLAKDM4EALDH1A1
SCHEMBL18770758 0.98 KMT2A (0.51) KMT2AMEN1GLAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5962066 0.96 GLA (0.52) KMT2AMEN1GLAKDM4EALDH1A1
SCHEMBL29027430 0.96 KMT2A (0.50) KMT2AMEN1GLAKDM4EALDH1A1
SCHEMBL190394 0.96 KMT2A (0.50) KMT2AMEN1GLAKDM4EALDH1A1
SCHEMBL5492635 0.96 KMT2A (0.50) KMT2AMEN1GLAKDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL1509056 0.96 KMT2A (0.50) KMT2AMEN1GLAKDM4EALDH1A1
SCHEMBL285411 0.96 KMT2A (0.50) KMT2AMEN1GLAKDM4EALDH1A1

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 1658 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120189980-A CuPH@KMO composite nano-enzyme material and preparation method and application thereof 吉林大学 2025-06-24 CN claimed
WO-2025120640-A1 CELL CULTURED BERRIES AND PRODUCTS DERIVED THEREFROM NOVELLA INNOVATIVE TECHNOLOGY LTD (IL) 2025-06-12 WO claimed
CN-120079438-A Integrated catalyst for coenzyme regeneration and preparation method thereof 天津大学 2025-06-03 CN claimed
CN-120060337-A Method for efficiently and rapidly obtaining jujube stable transgenic plants based on agrobacterium rhizogenes 西北农林科技大学 2025-05-30 CN claimed
CN-118914314-B Quantitative determination method for metastable iron oxide vacancy defect concentration 华中农业大学 2025-05-06 CN claimed
US-20250120943-A1 RIFAMYCIN OPHTHALMIC COMPOSITION AND USE THEREOF AMD THERAPEUTICS LLC (US) 2025-04-17 US claimed
CN-119823067-A Preparation method of 2- (N-morpholino) ethane sulfonic acid monohydrate 生工生物工程(上海)股份有限公司 2025-04-15 CN claimed
EP-4531844-A1 RIFAMYCIN OPHTHALMIC COMPOSITION AND USE THEREOF AMD Therapeutics LLC (US) 2025-04-09 EP claimed
CN-119529840-A NIR-IIb/c rare earth nanoparticle fluorescent probe and preparation method and application thereof 国家纳米科学中心 2025-02-28 CN claimed
CN-119455149-A Epoxy group modified zwitterionic polymer/heparin composite coating and preparation method thereof 陕西科技大学 2025-02-18 CN claimed
EP-1789789-B1 METHOD AND DEVICE TO OPTIMIZE ANALYTE AND ANTIBODY SUBSTRATE BINDING BY LEAST ENERGY ADSORPTION SQI DIAGNOSTICS SYSTEMS INC (CA) 2011-01-19 EP claimed
WO-2007002345-A2 METHOD FOR IMPROVING WATER SOLUBILITY OF CHITOSAN BAUSCH & LOMB INCORPORATED (US) 2007-01-04 WO claimed
US-20060287278-A1 Method for improving water solubility of chitosan BAUSCH & LOMB INCORPORATED 2006-12-21 US claimed
US-20060023808-A1 Compositions, kits, and methods for calibration in mass spectrometry Life Technologies Corporation 2006-02-02 US claimed
WO-2005114220-A2 COMPOSITIONS, KITS, AND METHODS FOR CALIBRATION IN MASS SPECTROMETRY INVITROGEN CORPORATION (US) 2005-12-01 WO claimed
EP-1563822-A2 Dental material based on alkoxysilyl functional polyether comprising a catalyst Kettenbach GmbH & CO. KG (DE) 2005-08-17 EP claimed
US-6086661-A (A)IMIDAZOLINIUM QUATERNARY SALT, (B) PHOSPHONIUM QUATERNARY SALT, OR (C) AN AMMONIUM QUATERNARY SALT; A PAPER-CURL REDUCING COMPOUND; DYE; STABILIZERS, BIOCIDE, WATER SOLUBLE SALT XEROX CORPORATION (US) 2000-07-11 US claimed
US-5563644-A Ink jet printing processes with microwave drying XEROX CORPORATION (US) 1996-10-08 US claimed
EP-0559324-B1 Ink jet printing processes with microwave drying XEROX CORP (US) 1995-10-18 EP claimed
EP-0559324-A1 Ink jet printing processes with microwave drying XEROX CORPORATION (US) 1993-09-08 EP claimed