Water

Water

SCHEMBL1146714

O.[I-].[I-].[I-].[I-].c1ccc2[s+]c3ccccc3nc2c1.c1ccc2[s+]c3ccccc3nc2c1.c1ccc2[s+]c3ccccc3nc2c1.c1ccc2[s+]c3ccccc3nc2c1

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
ACHE known ✓ P22303 2/20 0.42
CHRM2 known ✓ P08172 1/20 0.37
ADRA2A known ✓ P08913 1/20 0.37
ADORA3 known ✓ P0DMS8 1/20 0.37
CHRM1 known ✓ P11229 1/20 0.37
SLC6A2 known ✓ P23975 1/20 0.37
ADRA1A known ✓ P35348 1/20 0.37
OPRM1 known ✓ P35372 1/20 0.37
MEN1 known ✓ O00255 1/20 0.37
CACNA1B known ✓ Q00975 1/20 0.37
MAPT P10636 7/20 0.50
ALDH1A1 P00352 7/20 0.42
HPGD P15428 4/20 0.42
GLA P06280 4/20 0.42
NQO2 P16083 5/20 0.40
KDM4E B2RXH2 5/20 0.39
KMT2A Q03164 4/20 0.39
HSD17B10 Q99714 3/20 0.39
POLB P06746 3/20 0.39
GAA P10253 3/20 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
Iodide SCHEMBL1146708 0.97 MAPT (0.48) MAPTALDH1A1HPGDGLAACHE
Iodide SCHEMBL1471059 0.97 MAPT (0.53) MAPTALDH1A1HPGDGLAACHE
SCHEMBL50667 0.95 MAPT (0.56) MAPTALDH1A1HPGDGLAACHE
Hydrochloric Acid SCHEMBL31542018 0.92 MAPT (0.53) MAPTALDH1A1HPGDGLAACHE
Hydrochloric Acid SCHEMBL740017 0.92 MAPT (0.53) MAPTALDH1A1HPGDGLAACHE
SCHEMBL3360974 0.81 MAPT (0.42) MAPTALDH1A1HPGDGLAACHE
SCHEMBL8987972 0.80 MAPT (0.40) MAPTALDH1A1HPGDGLAACHE
Iodide SCHEMBL2590189 0.80 KDM4E (0.40) KDM4EKCNH2
Iodide SCHEMBL12813166 0.80 HTR3A (0.47) MAPTALDH1A1HPGDGLAACHE
Iodide SCHEMBL12813168 0.78 HTR3A (0.46) MAPTALDH1A1HPGDGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7344823-B2 Transient optical state change materials useful in copy-protected compact discs VERIFICATION TECHNOLOGIES, INC. (US) 2008-03-18 US claimed
EP-4651874-A2 PHENOTHIAZINYL COMPOUNDS AND USES Prosetta Biosciences, Inc. (US) 2025-11-26 EP disclosed
US-20250172566-A1 SACCHARIDE SENSING SYSTEMS Carbometrics Limited (GB) 2025-05-29 US disclosed
EP-4469803-A1 SACCHARIDE SENSING SYSTEMS Carbometrics Limited (GB) 2024-12-04 EP disclosed
US-20240300940-A1 Phenothiazinyl Compounds and Uses PROSETTA BIOSCIENCES, INC., 2024-09-12 US disclosed
WO-2024178120-A2 PHENOTHIAZINYL COMPOUNDS AND USES PROSETTA BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
WO-2023144545-A1 SACCHARIDE SENSING SYSTEMS Carbometrics Limited (GB) 2023-08-03 WO disclosed
US-9540405-B2 Diaminophenothiazinium derivatives for labelling biomolecules, method and substrate for labelling oligonucleotides, and oligonucleotides obtained UNIVERSITE CLAUDE BERNARD LYON I (FR) 2017-01-10 US disclosed
US-20150011712-A1 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED UNIVERSITE CLAUDE BERNARD LYON I (FR) 2015-01-08 US disclosed
US-8809317-B2 Antiviral compounds PROSETTA ANTIVIRAL INC. (US) 2014-08-19 US disclosed
EP-1687286-A1 DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) Photopharmica Limited (GB) 2006-08-09 EP disclosed
WO-2006032847-A1 WOUND HEALING PHOTOPHARMICA LIMITED (GB) 2006-03-30 WO disclosed
EP-1551817-A2 TRANSIENT OPTICAL STATE CHANGE MATERIALS USEFUL IN COPY-PROTECTED COMPACT DISCS Verification Technologies, Inc. (US) 2005-07-13 EP disclosed
WO-2005054217-A1 DEVELOPMENTS IN BIOLOGICALLY ACTIVE METHYLENE BLUE DERIVATIVES (2) PHOTOPHARMICA LIMITED (GB) 2005-06-16 WO disclosed
EP-1532623-A1 MATERIALS FOR OPTICAL MEDIUM COPY-PROTECTION TRANSIENTLY REACTING TO A READER BEAM Verification Technologies, Inc. (US) 2005-05-25 EP disclosed
US-20040147508-A1 Biologically active methylene blue derivatives PHOTOPHARMICA LIMITED 2004-07-29 US disclosed
US-20040121262-A1 Transient optical state change materials useful in copy-protected compact discs SPENCER TRASK HEALTHCARE VENTURES LLC 2004-06-24 US disclosed
WO-2004029672-A2 TRANSIENT OPTICAL STATE CHANGE MATERIALS USEFUL IN COPY-PROTECTED COMPACT DISCS VERIFICATION TECHNOLOGIES, INC. (US) 2004-04-08 WO disclosed
US-20040004922-A1 Materials for optical medium copy-protection transiently reacting to a reader beam VERIFICATION TECHNOLOGIES, INC. 2004-01-08 US disclosed
WO-2003107331-A1 MATERIALS FOR OPTICAL MEDIUM COPY-PROTECTION TRANSIENTLY REACTING TO A READER BEAM VERIFICATION TECHNOLOGIES, INC. (US) 2003-12-24 WO 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-20150011712-A1 DIAMINOPHENOTHIAZINIUM DERIVATIVES FOR LABELLING BIOMOLECULES, METHOD AND SUBSTRATE FOR LABELLING OLIGONUCLEOTIDES, AND OLIGONUCLEOTIDES OBTAINED POLRMT, RNASEH1, PDXK ACHE 2906/4885CHRM2 1395/4885ADRA2A 2719/4885
US-20250172566-A1 SACCHARIDE SENSING SYSTEMS GALE, SLC2A8, SLC2A4 ACHE 2800/4885CHRM2 4559/4885ADRA2A 4431/4885
US-20040147508-A1 Biologically active methylene blue derivatives HCCS, CYBA, HMBS ACHE 4014/4885CHRM2 1235/4885ADRA2A 2930/4885
US-20040121262-A1 Transient optical state change materials useful in copy-protected compact discs RAD51, VCL, TRRAP ACHE 2336/4885CHRM2 3007/4885ADRA2A 4042/4885
US-20240300940-A1 Phenothiazinyl Compounds and Uses PSEN1, ACE, APP ACHE 5/4885CHRM2 2682/4885ADRA2A 3553/4885

“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.