Water

Water

SCHEMBL28443273

O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3]

nearest known ligand 0.67

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 9)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
CA5A P35218 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36

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 SCHEMBL235757 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2799391 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28600144 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL16265947 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1173195 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28527123 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL4818958 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL19640167 0.94 MEN1 (0.78) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL6723119 0.94 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28121233 0.94 MEN1 (0.60) MEN1KMT2ACA5ACA5BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119857508-A SF (sulfur hexafluoride) degrading at low temperature6Composite catalyst of (2), preparation method and application thereof 安庆市长三角未来产业研究院 2025-04-22 CN claimed
CN-117659630-A Method for cooperatively improving ultraviolet aging resistance of epoxy resin based on cerium oxide grown in situ on hydroxylated fluorinated graphene 合肥工业大学 2024-03-08 CN claimed
CN-117024918-A Preparation method of cerium oxide/epoxy resin of hydroxylated modified fluorinated graphene 合肥工业大学 2023-11-10 CN claimed
CN-113244911-A Preparation method of metal aluminum fiber catalyst loaded with manganese and cerium metal oxides 西京学院 2021-08-13 CN claimed
CN-119926385-A Hydrodesulfurization catalyst and preparation method and application thereof 西安科技大学 2025-05-06 CN disclosed
CN-119857508-A SF (sulfur hexafluoride) degrading at low temperature6Composite catalyst of (2), preparation method and application thereof 安庆市长三角未来产业研究院 2025-04-22 CN disclosed
CN-119258213-A Preparation method and application of gold-modified cerium oxide drug-loaded nano microsphere 西北大学 2025-01-07 CN disclosed
CN-118240244-A Full-spectrum anti-ultraviolet master batch and application thereof in anti-ultraviolet fabric 浙江金彩新材料有限公司 2024-06-25 CN disclosed
CN-117659630-A Method for cooperatively improving ultraviolet aging resistance of epoxy resin based on cerium oxide grown in situ on hydroxylated fluorinated graphene 合肥工业大学 2024-03-08 CN disclosed
CN-117024918-A Preparation method of cerium oxide/epoxy resin of hydroxylated modified fluorinated graphene 合肥工业大学 2023-11-10 CN disclosed
CN-114870864-B Ferrite supported noble metal ruthenium catalyst and preparation method and application thereof 南京工业大学 2023-08-22 CN disclosed
CN-115608351-A Composite material and preparation method and application thereof 五邑大学 2023-01-17 CN disclosed
CN-115566211-A Preparation method and application of cerium oxide modified platinum-carbon nanoparticle electrocatalyst 大连理工大学 2023-01-03 CN disclosed
CN-111185242-B Co 3 O 4 -mMO x ZIFs composite material and preparation and application thereof 五邑大学 2022-12-13 CN disclosed
CN-113244911-A Preparation method of metal aluminum fiber catalyst loaded with manganese and cerium metal oxides 西京学院 2021-08-13 CN disclosed
CN-113244911-A Preparation method of metal aluminum fiber catalyst loaded with manganese and cerium metal oxides 西京学院 2021-08-13 CN disclosed
CN-111185242-A Co3O4-mMOxZIFs composite material and preparation and application thereof 五邑大学 2020-05-22 CN disclosed