Water

Water

SCHEMBL502962

CC(C)(/N=N/C(C)(C)C(=N)NCCC(=O)O)C(=N)NCCC(=O)O.O.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 SCHEMBL27080 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 174 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110873-A1 GRAFT POLYMERIZATION OF CATIONIC MONOMERS INTO CELLULOSIC FIBERS FOR SIMULTANEOUS SUSTAINABLE DYEING AND FINISHING NORTH CAROLINA STATE UNIVERSITY (US) 2024-05-30 WO claimed
EP-3357935-B1 PROCESS FOR PRODUCING WATER-ABSORBENT RESIN SUMITOMO SEIKA CHEMICALS (JP) 2023-07-19 EP claimed
WO-2021113960-A1 SURFACTANT-FREE EMULSIONS OF CELLULOSE NANOCRYSTAL-POLYMER NANOCOMPOSITE AND METHOD TO PREPARE THE SAME FPINNOVATIONS (CA) 2021-06-17 WO claimed
US-10556975-B2 Aqueous polymerization of thermoresponsive flocculants PHILLIPS 66 COMPANY (US) 2020-02-11 US claimed
US-10065173-B2 Process for producing water-absorbent resin SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2018-09-04 US claimed
EP-3357935-A1 PROCESS FOR PRODUCING WATER-ABSORBENT RESIN SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2018-08-08 EP claimed
EP-2993189-B1 METHOD FOR PRODUCING WATER-ABSORBENT RESIN SUMITOMO SEIKA CHEMICALS (JP) 2018-04-04 EP claimed
US-20180072825-A1 AQUEOUS POLYMERIZATION OF THERMORESPONSIVE FLOCCULANTS PHILLIPS 66 COMPANY (US) 2018-03-15 US claimed
EP-2692744-B1 PROCESS FOR PRODUCING WATER-ABSORBING RESIN SUMITOMO SEIKA CHEMICALS (JP) 2017-08-23 EP claimed
US-9512009-B2 Organic-inorganic silica particles, method of preparing the same, and hard coating composition containing the same LG HAUSYS, LTD. (KR) 2016-12-06 US claimed
EP-2616473-B1 MIXTURES CONTAINING PHOSPHOROUS, PROCEDURES FOR THEIR PRODUCTION AND USE CLARIANT INT LTD (CH) 2016-11-09 EP claimed
EP-2993189-A1 METHOD FOR PRODUCING WATER-ABSORBENT RESIN Sumitomo Seika Chemicals Co., Ltd. (JP) 2016-03-09 EP claimed
US-9034810-B2 Processing agent composition for semiconductor surface and method for processing semiconductor surface using same WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-05-19 US claimed
EP-2692744-A1 PROCESS FOR PRODUCING WATER-ABSORBING RESIN Sumitomo Seika Chemicals Co., Ltd. (JP) 2014-02-05 EP claimed
US-20260109875-A1 MULTI-PART WATER-BORNE COATING COMPOSITION AXALTA COATING SYSTEMS IP CO., LLC (US) 2026-04-23 US disclosed
EP-4715042-A1 METHOD FOR PRODUCING CELLS Kuraray Co., Ltd. (JP) 2026-03-25 EP disclosed
EP-4692798-A1 TEST REAGENT INCLUDING THIOUREA COMPOUND AND RESIN PARTICLES EACH HAVING SULFUR ELEMENT, AND METHOD OF DETECTING TARGET SUBSTANCE IN SPECIMEN BY IN VITRO DIAGNOSIS USING TEST REAGENT Canon Kabushiki Kaisha (JP) 2026-02-11 EP disclosed
US-20070004889-A1 Polymers based on n,n-diallylamine derivatives their production and use BASF AKTIENGESELLSCHAFT (DE) 2007-01-04 US disclosed
EP-1593698-A1 The use and preparation of crosslinked polymer particles for inkjet recording materials Hewlett-Packard Development Company, L.P. (US) 2005-11-09 EP disclosed
US-20050019509-A1 Calcium ion stable emulsion polymers and uses thereof NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2005-01-27 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 (1 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-20260109875-A1 MULTI-PART WATER-BORNE COATING COMPOSITION EGLN1, ALG1, GLO1 ADRA1A 560/4885ITGB3 91/4885ITGA2B 208/4885

“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.