Water

Water

SCHEMBL1976332

O.O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[O-])ccc21.[Na+]

nearest known ligand 0.60

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 4/20 0.60
MEN1 known ✓ O00255 2/20 0.54
PARG Q86W56 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPK1 P28482 2/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
FTO Q9C0B1 1/20 0.49
STAT3 P40763 1/20 0.49
ELANE P08246 1/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CDC25B P30305 1/20 0.48

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 SCHEMBL30203790 1.00 PKLR (0.60) PKLRPARGSMN1; SMN2KMT2AMAPK1
SCHEMBL305527 0.98 PKLR (0.62) PKLRPARGSMN1; SMN2KMT2AMAPK1
SCHEMBL28367628 0.98 PKLR (0.62) PKLRPARGSMN1; SMN2KMT2AMAPK1
SCHEMBL32662068 0.98 PKLR (0.62) PKLRPARGSMN1; SMN2KMT2AMAPK1
SCHEMBL29384291 0.98 PKLR (0.62) PKLRPARGSMN1; SMN2KMT2AMAPK1
SCHEMBL2858677 0.94 PARG (0.59) PKLRPARGSMN1; SMN2KMT2AMAPK1
Potassium Ion SCHEMBL2784885 0.94 PARG (0.59) PKLRPARGSMN1; SMN2KMT2AMAPK1
SCHEMBL8985955 0.94 PARG (0.59) PKLRPARGSMN1; SMN2KMT2AMAPK1
SCHEMBL9235321 0.94 PARG (0.59) PKLRPARGSMN1; SMN2KMT2AMAPK1
Silver SCHEMBL11327330 0.94 PARG (0.59) PKLRPARGSMN1; SMN2KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119447273-B Lithium ion battery positive electrode material, preparation method thereof and lithium ion battery 赣州诺威科技有限公司 2025-04-29 CN claimed
US-20250073673-A1 NANONETS FOR REMOVAL OF CONTAMINANTS FROM AQUEOUS SOLUTIONS, KITS THEREFOR AND METHODS OF THEIR USE CARBONET NANOTECHNOLOGIES INC. (CA) 2025-03-06 US claimed
CN-119447273-A Lithium ion battery positive electrode material, preparation method thereof and lithium ion battery 赣州诺威科技有限公司 2025-02-14 CN claimed
EP-4414063-A1 NANONETS FOR REMOVAL OF CONTAMINANTS FROM AQUEOUS SOLUTIONS, KITS THEREFOR AND METHODS OF THEIR USE Carbonet Nanotechnologies Inc. (CA) 2024-08-14 EP claimed
US-20240168374-A1 PHOTORESIST COMPOSITION TAIWAN SEMICONDUCTOR MANUFACTURING COMPANY, LTD. (TW) 2024-05-23 US claimed
CN-111977621-B Production method of light-driven high-purity nitrous oxide 福建农林大学 2022-10-14 CN claimed
US-12624174-B2 Hydrogen-bond enriched ion exchange membranes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2026-05-12 US disclosed
EP-4414063-B1 NANONETS FOR REMOVAL OF CONTAMINANTS FROM AQUEOUS SOLUTIONS, KITS THEREFOR AND METHODS OF THEIR USE CARBONET NANOTECHNOLOGIES INC (CA) 2026-04-15 EP disclosed
EP-4721721-A1 CURABLE COMPOSITION COMPRISING AN ALKOXYLATED ISOSORBIDE DI(METH)ACRYLATE ARKEMA FRANCE (FR) 2026-04-08 EP disclosed
EP-4723180-A1 CURABLE COMPOSITIONS FOR THE MANUFACTURE OF ELECTRODES OF LITHIUM ION BATTERIES ARKEMA FRANCE (FR) 2026-04-08 EP disclosed
EP-4717744-A1 USE OF A COMPOSITION BASED ON CYANOACRYLATE AND (METH)ACRYLATE Bostik SA (FR) 2026-04-01 EP disclosed
EP-4711042-A1 TARGET OBJECT SEPARATION APPARATUS WITH IMPROVED QUALITY CONTROL, AND MANUFACTURING METHOD THEREOF CURIOSIS INC. (KR) 2026-03-18 EP disclosed
US-12540247-B2 Primer composition THREEBOND CO., LTD. (JP) 2026-02-03 US disclosed
US-7291427-B2 Surface graft material, conductive pattern material, and production method thereof FUJIFILM CORPORATION (JP) 2007-11-06 US disclosed
US-20050214550-A1 Method of forming a pattern, conductive patterned material, and method of forming a conductive pattern FUJI PHOTO FILM CO., LTD. 2005-09-29 US disclosed
EP-1581031-A1 Method of forming a pattern, conductive patterned material, and method of forming a conductive pattern Fuji Photo Film Co. Ltd. (JP) 2005-09-28 EP disclosed
US-20050208428-A1 Surface graft material, conductive pattern material, and production method thereof FUJI PHOTO FILM CO., LTD. 2005-09-22 US disclosed
US-6811878-B2 MULTILAYER; RADIATION TRANSPARENT SUPPORT, CONDUCTIVE PARTICLES FUJI PHOTO FILM CO., LTD. (JP) 2004-11-02 US disclosed
US-20030008135-A1 Conductive film FUJIFILM CORPORATION (JP) 2003-01-09 US disclosed
EP-1271561-A2 Conductive film FUJI PHOTO FILM CO., LTD. (JP) 2003-01-02 EP 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 (2 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-12540247-B2 Primer composition FGB, CDH1, F10 PKLR 3239/4885MEN1 4605/4885PARG 674/4885
US-12624174-B2 Hydrogen-bond enriched ion exchange membranes SLC9A2, SLC9A3, SLC9A1 PKLR 1639/4885MEN1 671/4885PARG 349/4885

“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.