Water

Water

SCHEMBL1825839

O.O=C(O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O

nearest known ligand 0.40

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
ACE known ✓ P12821 1/20 0.40
CHRM2 known ✓ P08172 1/20 0.39
ADRA2A known ✓ P08913 1/20 0.39
SLC6A2 known ✓ P23975 1/20 0.39
SLC6A4 known ✓ P31645 1/20 0.39
ADRA1A known ✓ P35348 1/20 0.39
DRD3 known ✓ P35462 1/20 0.39
SLC6A3 known ✓ Q01959 1/20 0.39
TDP1 Q9NUW8 2/20 0.40
EYA2 O00167 1/20 0.40
APP P05067 1/20 0.40
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
DRD1 P21728 1/20 0.39
CYP2C19 P33261 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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 SCHEMBL303864 1.00 TDP1 (0.40) TDP1EYA2APPACEBLM
SCHEMBL1477656 0.98 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL93743 0.98 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL21848627 0.98 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL367170 0.98 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL641988 0.98 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL7705689 0.95 TDP1 (0.40) TDP1EYA2APPACEBLM
SCHEMBL643078 0.93 TDP1 (0.36) TDP1EYA2APPACEBLM
SCHEMBL19962832 0.91 TDP1 (0.42) TDP1EYA2APPACEBLM
SCHEMBL19962167 0.91 TDP1 (0.42) TDP1EYA2APPACEBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016116-A1 FORWARD OSMOSIS SYSTEM USING COORDINATION COMPLEXES NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-01-21 US claimed
WO-2014163589-A1 FORWARD OSMOSIS SYSTEM USING COORDINATION COMPLEXES NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-10-09 WO claimed
EP-2504025-A2 COMPOSITIONS AND METHODS COMPRISING SERRATIA PEPTIDASE FOR INHIBITION AND TREATMENT OF BIOFILMS RELATED TO CERTAIN CONDITIONS Olmstead, Stephen F. (US) 2012-10-03 EP claimed
WO-2011063394-A2 COMPOSITIONS AND METHODS COMPRISING SERRATIA PEPTIDASE FOR INHIBITION AND TREATMENT OF BIOFILMS RELATED TO CERTAIN CONDITIONS OLMSTEAD STEPHEN F (US) 2011-05-26 WO claimed
WO-2009126132-A1 FORMULATIONS AND METHODS FOR MODULATING SATIETY ROSENBERG MARK (US) 2009-10-15 WO claimed
US-6869486-B2 Methods for removing metallic contamination from wafer containers SEMITOOL, INC. (US) 2005-03-22 US claimed
US-20040079393-A1 Apparatus and methods for removing metallic contamination from wafer containers THL CORPORATE FINANCE, INC., AS COLLATERAL AGENT 2004-04-29 US claimed
US-6436300-B2 Method of manufacturing electronic components MOTOROLA, INC. 2002-08-20 US claimed
US-6413878-B1 Method of manufacturing electronic components MOTOROLA, INC. 2002-07-02 US claimed
US-20010008224-A1 METHOD OF MANUFACTURING ELECTRONIC COMPONENTS NXP, B.V. F/K/A FREESCALE SEMICONDUCTOR, INC. (NL) 2001-07-19 US claimed
US-5683793-A Ink jet transparencies XEROX CORPORATION (US) 1997-11-04 US claimed
US-5589277-A INK JET PRINTING, AQUEOUS INKS, FAST DRYING XEROX CORPORATION (US) 1996-12-31 US claimed
EP-0667246-A1 Recording sheets containing amino acids, hydroxy acids, and polycarboxyl compounds XEROX CORPORATION (US) 1995-08-16 EP claimed
US-20250172879-A1 METAL-COMPOUND-REMOVING SOLVENT AND METHOD IN LITHOGRAPHY TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2025-05-29 US disclosed
US-12210286-B2 Metal-compound-removing solvent and method in lithography TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2025-01-28 US disclosed
US-20230324806-A1 Metal-Compound-Removing Solvent And Method In Lithography TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2023-10-12 US disclosed
US-20040079393-A1 Apparatus and methods for removing metallic contamination from wafer containers THL CORPORATE FINANCE, INC., AS COLLATERAL AGENT 2004-04-29 US disclosed
WO-2003088914-A2 METHODS OF INHIBITING AND TREATING BACTERIAL BIOFILMS BY METAL CHELATORS THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-10-30 WO disclosed
US-20030062069-A1 Apparatus and methods for removing metallic contamination from wafer containers SEMITOOL, INC 2003-04-03 US disclosed
US-20030051743-A1 Apparatus and methods for removing metallic contamination from wafer containers SEMITOOL, INC. 2003-03-20 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 (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-20160016116-A1 FORWARD OSMOSIS SYSTEM USING COORDINATION COMPLEXES SLC26A3, SLC26A4, OTC ACE 3477/4885CHRM2 2741/4885ADRA2A 4119/4885

“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.