Water

Water

SCHEMBL29486368

O.O=S(=O)([O-])c1ccc(-c2nnc(-c3ccccn3)nc2-c2ccc(S(=O)(=O)O)cc2)cc1.[Na+]

nearest known ligand 0.52

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
PHLPP2 Q6ZVD8 1/20 0.52
HIF1A Q16665 11/20 0.46
KDM4E B2RXH2 4/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MITF O75030 1/20 0.46
HTT P42858 3/20 0.43
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
TP53 P04637 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
HSP90AA1 P07900 1/20 0.38
SLC2A1 P11166 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA1 Q15788 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NCOA3 Q9Y6Q9 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
SCHEMBL30142620 0.99 PHLPP2 (0.53) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL164701 0.99 PHLPP2 (0.53) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL15226561 0.95 PHLPP2 (0.50) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
Hydroxyamine SCHEMBL16653989 0.95 PHLPP2 (0.50) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL164702 0.94 PHLPP2 (0.57) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
Butane SCHEMBL10710653 0.93 PHLPP2 (0.48) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL6703786 0.93 HIF1A (0.52) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL29647872 0.93 HIF1A (0.52) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL30959846 0.93 HIF1A (0.52) PHLPP2HIF1AKDM4ELMNASMN1; SMN2
SCHEMBL1181224 0.91 PHLPP2 (0.55) PHLPP2HIF1AKDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3880688-B1 OLIGOSACCHARIDE PREPARATIONS AND COMPOSITIONS DSM IP ASSETS BV (NL) 2025-09-17 EP claimed
US-11820973-B2 Methods and system for interfering with viability of bacteria and related compounds and compositions CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-11-21 US claimed
US-11655267-B2 Oligosaccharide preparations and compositions DSM IP ASSETS B.V. (NL) 2023-05-23 US claimed
EP-4735009-A1 FERRITIN-GOLD NANOPARTICLE CONJUGATES FOR PHOTODYNAMIC CANCER THERAPY Temple University Of The Commonwealth System Of Higher Education (US) 2026-05-06 EP disclosed
EP-4687916-A1 OLIGOSACCHARIDE PREPARATION COUNTERACTING RESPIRATORY DISEASE EFFECT DSM IP Assets B.V. (NL) 2026-02-11 EP disclosed
EP-3880688-B1 OLIGOSACCHARIDE PREPARATIONS AND COMPOSITIONS DSM IP ASSETS BV (NL) 2025-09-17 EP disclosed
EP-4613755-A1 OLIGOSACCHARIDE PREPARATIONS AND COMPOSITIONS DSM IP Assets B.V. (NL) 2025-09-10 EP disclosed
US-20250212913-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP ASSETS BV (NL) 2025-07-03 US disclosed
US-20250185693-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP ASSETS BV (NL) 2025-06-12 US disclosed
US-20250185694-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP ASSETS BV (NL) 2025-06-12 US disclosed
US-20250185695-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP ASSETS BV (NL) 2025-06-12 US disclosed
US-20230200412-A1 METHODS OF MODULATING GASTROINTESTINAL MICROBIAL METABOLIC PATHWAYS AND METABOLITES DSM IP ASSETS B.V. (NL) 2023-06-29 US disclosed
WO-2023110658-A1 USE OF OLIGOSACCHARIDE PREPARATION TO INCREASE PERFORMANCE OF ANIMAL VACCINATED AGAINST COCCIDIOSIS DSM IP ASSETS B.V. (NL) 2023-06-22 WO disclosed
US-11655267-B2 Oligosaccharide preparations and compositions DSM IP ASSETS B.V. (NL) 2023-05-23 US disclosed
EP-4162808-A1 METHODS OF SUPPORTING GASTROINTESTINAL HOMEOSTASIS DSM IP Assets B.V. (NL) 2023-04-12 EP disclosed
WO-2023007003-A1 SELF-ASSEMBLED BIOCOMPATIBLE IMAGING PARTICLES, THEIR SYNTHESIS AND THEIR USE IN IMAGING TECHNIQUES INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2023-02-02 WO disclosed
EP-4118090-A1 METHODS OF MODULATING GASTROINTESTINAL MICROBIAL METABOLIC PATHWAYS AND METABOLITES DSM IP Assets B.V. (NL) 2023-01-18 EP disclosed
WO-2022175267-A1 METHODS FOR REDUCING PATHOGENIC E COLI BY SELECTIVE FEED ADDITIVE INTERVENTION DSM IP ASSETS B.V. (NL) 2022-08-25 WO disclosed
WO-2022117739-A1 OLIGOSACCHARIDE FORMULATION DSM IP ASSETS B.V. (NL) 2022-06-09 WO disclosed
US-20220125074-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP ASSETS B.V. (NL) 2022-04-28 US disclosed