Water

Water

SCHEMBL2494050

O.O=C(O)/C(O)=C(\O)C(=O)O

nearest known ligand 0.40

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 16)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.36
ACHE known ✓ P22303 1/20 0.33
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LDHA P00338 1/20 0.39
LDHB P07195 1/20 0.39
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
RECQL P46063 1/20 0.36
CYP2C19 P33261 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
FFAR3 O14843 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
OR51E2 Q9H255 1/20 0.31

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 SCHEMBL2494054 1.00 CA1 (0.40) CA1CA2CA9LDHALDHB
Water SCHEMBL28807144 1.00 CA1 (0.40) CA1CA2CA9LDHALDHB
SCHEMBL57216 0.94 CA1 (0.44) CA1CA2CA9LDHALDHB
SCHEMBL57215 0.94 CA1 (0.44) CA1CA2CA9LDHALDHB
SCHEMBL48638 0.94 CA1 (0.44) CA1CA2CA9LDHALDHB
Ammonia Solution, Strong SCHEMBL11646225 0.89 CA1 (0.40) CA1CA2CA9LDHALDHB
Ammonia Solution, Strong SCHEMBL11646230 0.89 CA1 (0.40) CA1CA2CA9LDHALDHB
SCHEMBL27658054 0.89 CA1 (0.40) CA1CA2CA9LDHALDHB
Ammonia Solution, Strong SCHEMBL11646218 0.89 CA1 (0.40) CA1CA2CA9LDHALDHB
SCHEMBL5138395 0.89 CA1 (0.40) CA1CA2CA9LDHALDHB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680375-A1 SYSTEM AND METHOD FOR FLUID CAPTURE GE Vernova Technology GmbH (CH) 2026-01-21 EP disclosed
EP-4680252-A1 SYSTEM AND METHOD FOR FLUID CAPTURE GE Vernova Infrastructure Technology LLC (US) 2026-01-21 EP disclosed
WO-2024232943-A1 SYSTEM AND METHOD FOR FLUID CAPTURE GE INFRASTRUCTURE TECHNOLOGY LLC (US) 2024-11-14 WO disclosed
WO-2024232944-A1 SYSTEM AND METHOD FOR FLUID CAPTURE GE INFRASTRUCTURE TECHNOLOGY LLC (US) 2024-11-14 WO disclosed
CN-116375615-A Preparation method of florfenicol amine, intermediate thereof and preparation method thereof 弈柯莱生物科技(上海)股份有限公司 2023-07-04 CN disclosed
EP-2555742-B2 ENCAPSULATES PROCTER & GAMBLE (US) 2018-12-05 EP disclosed
EP-2756065-B1 ENCAPSULATES PROCTER & GAMBLE (US) 2018-10-24 EP disclosed
US-9890351-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2018-02-13 US disclosed
EP-2741731-B1 ENCAPSULATES PROCTER & GAMBLE (US) 2017-05-17 EP disclosed
US-9644174-B2 Encapsulates THE PROCTER & GAMBLE COMPANY (US) 2017-05-09 US disclosed
US-20130061883-A1 ENCAPSULATES PROCTER & GAMBLE COMPANY, THE 2013-03-14 US disclosed
US-20130039962-A1 ENCAPSULATES ENCAPSYS, LLC 2013-02-14 US disclosed
WO-2013022949-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2013-02-14 WO disclosed
EP-2555742-A1 ENCAPSULATES The Procter & Gamble Company (US) 2013-02-13 EP disclosed
WO-2011127030-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2011-10-13 WO disclosed
US-20110245136-A1 ENCAPSULATES PROCTER & GAMBLE COMPANY, THE 2011-10-06 US disclosed
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed
EP-0244055-A2 Method of sequencing peptides BIO-AFFINITY SYSTEMS, INC. (US) 1987-11-04 EP disclosed
US-4665037-A Method of sequencing peptides ANALYTICHEM INTERNATIONAL, INC. (US) 1987-05-12 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-20130039962-A1 ENCAPSULATES ABCB4, PPIB, FLNB THRB 4585/4885ACHE 279/4885CA1 1026/4885

“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.