Water

Water

SCHEMBL479454

O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Yb+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 SCHEMBL3598096 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2230025 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL20678448 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2675933 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL14716036 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2590832 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL338521 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL2175582 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28398822 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10566608 0.94 MEN1 (0.75) 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 308 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122006790-A Preparation method of alkali treatment-ytterbium ion exchange ZSM-5 molecular sieve catalyst and application of catalyst in preparation of phenol by dealkylation of biomass-derived alkylphenols 华南理工大学 2026-05-12 CN claimed
EP-4630187-A1 PRODUCTION OF SILVER NANOPARTICLES BY GREEN SYNTHESIS USING HAZELNUT HUSK EXTRACT Bahçesehir Üniversitesi (TR) 2025-10-15 EP claimed
US-12391977-B2 Mixed cluster heterometallic metal-organic frameworks for complex optical tags NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC (US) 2025-08-19 US claimed
CN-119601693-A Rare earth doped Pt-based high-entropy intermetallic compound, preparation and application 吉林大学 2025-03-11 CN claimed
CN-119552638-A RE-MOF-based photo-thermal material, photo-thermal interface evaporator and preparation method and application thereof 中国科学院赣江创新研究院 2025-03-04 CN claimed
CN-119455981-A Method for expanding light absorption range of photocatalytic material and improving photocatalytic hydrogen production performance 北京航空航天大学 2025-02-18 CN claimed
CN-119263795-A High-purity composite rare earth monosilicate ceramic powder and preparation method thereof 中国科学院合肥物质科学研究院 2025-01-07 CN claimed
CN-119263356-A Spherical (LPSGY) FO high-entropy nano material and preparation method and application thereof 渤海大学 2025-01-07 CN claimed
CN-119056470-A Ytterbium and erbium co-doped bismuth oxychloride photocatalyst with two-dimensional nanosheet structure, preparation method and application 合肥大学 2024-12-03 CN claimed
CN-118325393-B Water-based nano anti-counterfeiting ink-jet and preparation method thereof 江苏佳饰家新材料集团股份有限公司 2024-09-27 CN claimed
CN-112397603-A Yb-based doped TiO2Ultraviolet photoelectric detector made of nano material and preparation method thereof 吉林大学 2021-02-23 CN claimed
CN-112300783-A Lithium niobate up-conversion luminescent material with core-shell structure and preparation method thereof 广东工业大学 2021-02-02 CN claimed
CN-108410424-B Preparation method and application of lanthanide metal doped cerium dioxide nano abrasive particles 清华大学 2020-07-10 CN claimed
CN-111234808-A Upconversion nano particle modified by nitroso tetrafluoroborate, nano probe, preparation method of nano probe and detection method of sulfur-containing compound 安徽师范大学 2020-06-05 CN claimed
CN-110862803-A Material with tunable wave absorption performance and preparation method thereof 北京航空航天大学 2020-03-06 CN claimed
CN-107384402-B Preparation method and application of core-shell hollow enhanced up-conversion material for dye-sensitive solar cell 合肥工业大学 2020-01-17 CN claimed
CN-110591692-A Upconversion nano particle modified by nitroso tetrafluoroborate, nano probe, preparation method of nano probe and detection method of sulfur-containing compound 安徽师范大学 2019-12-20 CN claimed
CN-106587645-B Biological glass fiber material with up-conversion luminescence effect and preparation method thereof 浙江康飞思医疗科技有限公司 2019-12-13 CN claimed
CN-109879605-A Yb highly doped transparent luminous film and preparation method thereof 中国科学院上海光学精密机械研究所 2019-06-14 CN claimed
CN-108752315-A 3- benzimidazolyl-2 radicals (1H)-quinolinone-ytterbium complex and its preparation method and application 桂林医学院 2018-11-06 CN claimed