Water

Water

SCHEMBL2233349

NOC(=O)CC(O)(CC(=O)O)C(=O)O.O

nearest known ligand 0.62

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
CHRM1 known ✓ P11229 1/20 0.34
ADRA1A known ✓ P35348 1/20 0.34
MEN1 known ✓ O00255 1/20 0.33
ALDH1A1 P00352 2/20 0.62
KDM4E B2RXH2 4/20 0.35
LMNA P02545 3/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 1/20 0.35
HMGCR P04035 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC13A5 Q86YT5 5/20 0.34
ACLY P53396 3/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
CPT2 P23786 1/20 0.32

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
Citric Acid SCHEMBL1261063 0.98 ALDH1A1 (0.65) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL235941 0.98 ALDH1A1 (0.65) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL29137169 0.96 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL21815387 0.96 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL8813391 0.96 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPT
Ammonia Solution, Strong SCHEMBL655552 0.96 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPT
Iodide SCHEMBL8406735 0.96 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL9815615 0.96 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL28070648 0.96 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL28275314 0.96 ALDH1A1 (0.62) ALDH1A1KDM4ELMNATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2025318-B1 Two-phase composition for conditioning hair KAO GERMANY GMBH (DE) 2018-07-25 EP disclosed
US-8715633-B2 Composition for keratin fibres KAO GERMANY GMBH (DE) 2014-05-06 US disclosed
EP-1911435-B1 Two-phase composition for improving curl retention KAO GERMANY GMBH (DE) 2013-07-24 EP disclosed
US-20120103357-A1 COMPOSITION FOR KERATIN FIBRES KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2012-05-03 US disclosed
US-20110192413-A1 Two-Phase Composition for Improving Curl Retention KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2011-08-11 US disclosed
US-20090286104-A1 MULTI-LAYERED NICKEL-PHOSPHOROUS COATINGS AND PROCESSES FOR FORMING THE SAME GENERAL ELECTRIC COMPANY (US) 2009-11-19 US disclosed
EP-1927335-B1 Two-phase conditioning composition KPSS KAO GMBH (DE) 2009-10-21 EP disclosed
US-20090098077-A1 Two-Phase Composition for Improving Curl Retention KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2009-04-16 US disclosed
EP-2036534-A1 Multi phase composition for conditioning hair KPSS-Kao Professional Salon Services GmbH (DE) 2009-03-18 EP disclosed
EP-2025317-A1 Two or multi phase composition for conditioning hair KPSS-Kao Professional Salon Services GmbH (DE) 2009-02-18 EP disclosed
EP-2022465-A1 Multi-phase composition for conditioning hair KPSS-Kao Professional Salon Services GmbH (DE) 2009-02-11 EP disclosed
CN-100408202-C Electroless plating solution and process MATTSON TECH INC (US) 2008-08-06 CN disclosed
EP-1927335-A1 Two-phase conditioning composition KPSS-Kao Professional Salon Services GmbH (DE) 2008-06-04 EP disclosed
US-20080124293-A1 COMPOSITION FOR KERATIN FIBRES KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) 2008-05-29 US disclosed
EP-1925280-A1 Two-phase conditioning composition KPSS-Kao Professional Salon Services GmbH (DE) 2008-05-28 EP disclosed
EP-1911435-A1 Two-phase composition for improving curl retention KPSS-Kao Professional Salon Services GmbH (DE) 2008-04-16 EP disclosed
CN-1761534-A Electroless plating solution and method MATTSON TECH INC (US) 2006-04-19 CN disclosed
US-20050009922-A1 Stable aqueous antimicrobial suspension CARLSON PAUL E (US) 2005-01-13 US disclosed
US-6797312-B2 DOES NOT REQUIRE THE USE OF A CATALYST, COMPRISING A FIRST REDUCING AGENT, A SECOND REDUCING AGENT, A PH ADJUSTING AGENT, A FIRST METAL SOURCE, AND A SECOND METAL SOURCE MATTSON TECHNOLOGY, INC. 2004-09-28 US disclosed
US-20040142114-A1 Electroless plating solution and process MATTSON TECHNOLOGY, INC. 2004-07-22 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 (3 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-20110192413-A1 Two-Phase Composition for Improving Curl Retention CCRL2, TIPRL, ASH2L CHRM1 1777/4885ADRA1A 3762/4885MEN1 2608/4885
US-20080124293-A1 COMPOSITION FOR KERATIN FIBRES KRT18, MICA, CUTA CHRM1 2013/4885ADRA1A 4850/4885MEN1 571/4885
US-20120103357-A1 COMPOSITION FOR KERATIN FIBRES KRT18, MICA, CUTA CHRM1 2013/4885ADRA1A 4850/4885MEN1 571/4885

“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.