Water

Water

SCHEMBL2154885

O.O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)O)ccc21

nearest known ligand 0.54

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
MEN1 known ✓ O00255 3/20 0.54
PKLR known ✓ P30613 3/20 0.53
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
PARG Q86W56 7/20 0.53
STAT3 P40763 1/20 0.53
BCL2 P10415 1/20 0.52
MCL1 Q07820 1/20 0.52
POLB P06746 1/20 0.49
TTR P02766 1/20 0.48
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

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 SCHEMBL1976333 0.98 KMT2A (0.53) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL29536345 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL28718485 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL426122 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL29518398 0.98 KMT2A (0.56) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL305526 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL2784888 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL21840825 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL7758423 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1
SCHEMBL11327335 0.96 KMT2A (0.54) KMT2ASMN1; SMN2MEN1MAPTMAPK1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7791984-B2 Method for forming an apparatus for indicating the passage of time and the formed apparatus Su, Wei-Fang (TW) 2010-09-07 US claimed
CN-101324530-B Time history indicating device and forming method thereof WEIFANG LIN 2010-07-21 CN claimed
CN-101324530-A Time history indicating device and forming method thereof WEIFANG LIN (CN) 2008-12-17 CN claimed
US-20080219102-A1 Apparatus for forming an apparatus for indicating the passage of time and the formed apparatus Su, Wei-Fang (TW) 2008-09-11 US claimed
US-12447239-B2 3D-printed bioresorbable all-polymer composite soft tissue scaffolds NORTHWESTERN UNIVERSITY (US) 2025-10-21 US disclosed
WO-2025091000-A1 BIODEGRADABLE NANOCOMPOSITE INK FOR 3D PRINTING RADIOPAQUE SCAFFOLDS NORTHWESTERN UNIVERSITY (US) 2025-05-01 WO disclosed
US-12214104-B2 Photo-reactive inks and thermal-curable materials made therefrom NORTHWESTERN UNIVERSITY (US) 2025-02-04 US disclosed
US-20220133958-A1 3D-PRINTED BIORESORBABLE ALL-POLYMER COMPOSITE SOFT TISSUE SCAFFOLDS NORTHWESTERN UNIVERSITY 2022-05-05 US disclosed
CN-107850810-B Liquid crystal display element DIC株式会社 2021-06-15 CN disclosed
US-20210008246-A1 PHOTO-REACTIVE INKS AND THERMAL-CURABLE MATERIALS MADE THEREFROM NORTHWESTERN UNIVERSITY (US) 2021-01-14 US disclosed
WO-2020160077-A1 3D-PRINTED BIORESORBABLE ALL-POLYMER COMPOSITE SOFT TISSUE SCAFFOLDS NORTHWESTERN UNIVERSITY (US) 2020-08-06 WO disclosed
WO-2019055656-A1 PHOTO-REACTIVE INKS AND THERMAL-CURABLE MATERIALS MADE THEREFROM NORTHWESTERN UNIVERSITY (US) 2019-03-21 WO disclosed
US-7974157-B2 Method for forming an apparatus for indicating the passage of time and the formed apparatus Su, Wei-Fang (TW) 2011-07-05 US disclosed
US-20100275835-A1 Method for forming an apparatus for indicating the passage of time and the formed apparatus Wei-Fang Su (TW) 2010-11-04 US disclosed
US-7791984-B2 Method for forming an apparatus for indicating the passage of time and the formed apparatus Su, Wei-Fang (TW) 2010-09-07 US disclosed
CN-101324530-B Time history indicating device and forming method thereof WEIFANG LIN 2010-07-21 CN disclosed
CN-101324530-A Time history indicating device and forming method thereof WEIFANG LIN (CN) 2008-12-17 CN disclosed
US-20080219102-A1 Apparatus for forming an apparatus for indicating the passage of time and the formed apparatus Su, Wei-Fang (TW) 2008-09-11 US disclosed
CN-1946898-A Method for dyeing or printing cellulosic fibre materials with reducible dyes HUNTSMAN ADV MAT SWITZERLAND (CH) 2007-04-11 CN disclosed