Water

Water

SCHEMBL27080

CC(C)(/N=N/C(C)(C)C(=N)NCCC(=O)O)C(=N)NCCC(=O)O.O

nearest known ligand 0.39

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 18)

geneUniProtsupporting neighboursconfidence
ADRA1A known ✓ P35348 1/20 0.32
ITGB3 known ✓ P05106 4/20 0.32
ITGA2B known ✓ P08514 3/20 0.32
ECE1 P42892 4/20 0.39
PLA2G2A P14555 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
ITGAV P06756 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
PRMT1 Q99873 1/20 0.31
FAAH O00519 2/20 0.30
CNR1 P21554 2/20 0.30
CNR2 P34972 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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 SCHEMBL158122 1.00 ECE1 (0.39) ECE1PLA2G2AKMT2ANPSR1ADRA1A
Water SCHEMBL502962 1.00 ECE1 (0.39) ECE1PLA2G2AKMT2ANPSR1ADRA1A
Water SCHEMBL6822489 1.00 ECE1 (0.39) ECE1PLA2G2AKMT2ANPSR1ADRA1A
Water SCHEMBL27081 1.00 ECE1 (0.39) ECE1PLA2G2AKMT2ANPSR1ADRA1A
Water SCHEMBL6822493 1.00 ECE1 (0.39) ECE1PLA2G2AKMT2ANPSR1ADRA1A
SCHEMBL178169 0.98 ECE1 (0.40) ECE1PLA2G2AKMT2ANPSR1ADRA1A
SCHEMBL29136617 0.98 ECE1 (0.40) ECE1PLA2G2AKMT2ANPSR1ADRA1A
SCHEMBL178168 0.98 ECE1 (0.40) ECE1PLA2G2AKMT2ANPSR1ADRA1A
SCHEMBL786150 0.98 ECE1 (0.40) ECE1PLA2G2AKMT2ANPSR1ADRA1A
Hydrochloric Acid SCHEMBL6055023 0.96 ECE1 (0.39) ECE1PLA2G2AKMT2ANPSR1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3200930-B1 PLASMA DEPOSITION METHOD FOR CATECHOL/QUINONE FUNCTIONALISED LAYERS LUXEMBOURG INSTITUTE OF SCIENCE AND TECH (LU) 2023-10-04 EP claimed
US-11142603-B2 Process for preparation of patiromer SOLARA ACTIVE PHARMA SCIENCES LIMITED (IN) 2021-10-12 US claimed
EP-2459607-B1 HYBRID COPOLYMER COMPOSITIONS FOR PERSONAL CARE APPLICATIONS NOURYON CHEMICALS INT BV (NL) 2021-04-14 EP claimed
US-10843224-B2 Plasma deposition method for catechol/quinone functionalised layers LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (LIST) (LU) 2020-11-24 US claimed
US-20190352442-A1 Process for Preparation of Patiromer SOLARA ACTIVE PHARMA SCIENCES LIMITED (IN) 2019-11-21 US claimed
US-20170297055-A1 Plasma Deposition Method For Catechol/Quinone Functionalised Layers LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (LIST) (LU) 2017-10-19 US claimed
WO-2017109658-A1 PROCESS FOR THE SYNTHESIS OF PATIROMER RJW PHARMA LLC (US) 2017-06-29 WO claimed
US-12630502-B2 Compounds, compositions and polymer films FUJIFILM MANUFACTURING EUROPE B.V. (NL) 2026-05-19 US disclosed
EP-4726006-A1 PRESSURE-SENSITIVE ADHESIVE SHEET Nitto Denko Corporation (JP) 2026-04-15 EP disclosed
US-12545815-B2 Protective sheet NITTO DENKO CORPORATION (JP) 2026-02-10 US disclosed
EP-3904088-B1 PROTECTIVE SHEET NITTO DENKO CORP (JP) 2026-01-28 EP disclosed
US-12534583-B2 Compositions and polymer films FUJIFILM MANUFACTURING EUROPE B.V. (NL) 2026-01-27 US disclosed
US-12528976-B2 Water-dispersed pressure-sensitive adhesive composition and pressure-sensitive adhesive sheet NITTO DENKO CORPORATION (JP) 2026-01-20 US disclosed
US-20030087284-A1 Virus-binding particles, virus-separating reagent, separation of viruses, and detection of viruses JSR CORPORATION (JP) 2003-05-08 US disclosed
EP-1218446-A4 ADHESIVES AND METHOD FOR MAKING SAME AVERY DENNISON CORP (US) 2002-11-27 EP disclosed
EP-1218446-A1 ADHESIVES AND METHOD FOR MAKING SAME AVERY DENNISON CORPORATION (US) 2002-07-03 EP disclosed
US-20020068805-A1 Hollow crosslinked cationic polymer particles, method of producing said particles, and paint composition, cationic electrodeposition paint composition, resin composition, filled paper, paper coating composition, and coated paper JSR CORPORATION (JP) 2002-06-06 US disclosed
US-20010009759-A1 Virus-binding particles, virus-separating reagent, separation of viruses, and detection of viruses JSR CORPORATION (JP) 2001-07-26 US disclosed
EP-1108743-A2 Virus-binding particles, virus-separating reagent, separation of viruses, and detection of viruses JSR Corporation (JP) 2001-06-20 EP disclosed
WO-2000068316-A1 ADHESIVES AND METHOD FOR MAKING SAME AVERY DENNISON CORPORATION (US) 2000-11-16 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 (4 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-12630502-B2 Compounds, compositions and polymer films PHOSPHO1, SGMS1, MGMT ADRA1A 3484/4885ITGB3 183/4885ITGA2B 1097/4885
US-12534583-B2 Compositions and polymer films SLC9A1, SLC9A2, SLC8A1 ADRA1A 1852/4885ITGB3 1675/4885ITGA2B 1829/4885
US-12545815-B2 Protective sheet ACR, CDH1, ICAM1 ADRA1A 3473/4885ITGB3 177/4885ITGA2B 112/4885
US-12528976-B2 Water-dispersed pressure-sensitive adhesive composition and pressure-sensitive adhesive sheet EPCAM, ACTN1, CDH1 ADRA1A 1509/4885ITGB3 170/4885ITGA2B 89/4885

“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.