Water

Water

SCHEMBL2675933

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 SCHEMBL479454 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL20678448 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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775963-A Preparation method and application of metal ion doped ultra-small cerium oxide polishing abrasive 复旦大学 2025-04-08 CN claimed
CN-117012950-A Rare earth element modification method of lithium nickel manganese oxide anode and wide-temperature-zone application 中国科学院金属研究所 2023-11-07 CN claimed
CN-109497088-B Near-infrared light response antibacterial agent and preparation method thereof 东北大学 2021-04-02 CN claimed
CN-108129147-B Single-phase rare earth oxide ceramic material with room temperature exchange bias and preparation method thereof 江西理工大学 2021-01-08 CN claimed
CN-108117390-B Rare earth oxide ceramic material with exchange bias reversal and preparation method thereof 江西理工大学 2020-11-03 CN claimed
CN-102166513-A Antimony, ytterbium and indium based composite magnetic particle photocatalyst with core-shell structure, preparation and application NANJING UNIVERSITY OF TECHNOLOGY 2011-08-31 CN claimed
CN-102139210-A Gadolinium-ytterbium-stibium based composite magnetic particle photocatalyst with core-shell structure, preparation and application NANJING UNIVERSITY OF TECHNOLOGY 2011-08-03 CN claimed
CN-122012074-A Graphene uranyl ion sensor material and preparation method and application thereof 中国核动力研究设计院 2026-05-12 CN disclosed
WO-2025134039-A1 PREPARATION OF FUNCTIONALIZED MESOPOROUS SILICA NANOPARTICLES AS MASS TAGS FOR APPLICATION IN MASS CYTOMETRY STANDARD BIOTOOLS CANADA INC. (CA) 2025-06-26 WO disclosed
CN-120136163-A Preparation method and application of metal oxide nano particles 天津科技大学 2025-06-13 CN disclosed
CN-118825307-A Rare earth element doped carbon nitride supported noble metal electrocatalyst and preparation method and application thereof 北京师范大学珠海校区 2024-10-22 CN disclosed
CN-118619688-A Preparation method of fiber surface oxidation resistance rare earth silicate interface phase layer 中国科学院上海硅酸盐研究所 2024-09-10 CN disclosed
CN-118109851-A Porous rare earth ruthenium-based pyrochlore electrocatalyst, and preparation method and application thereof 海南大学 2024-05-31 CN disclosed
US-5057162-A Rare earth metal oxide member emitting radiation to photocell-control of electrical output TPV ENERGY SYSTEMS, INC. (US) 1991-10-15 US disclosed
US-4976606-A POWER GENERATION SYSTEM TPV ENERGY SYSTEMS, INC. (US) 1990-12-11 US disclosed
US-4883619-A Refractory metal oxide processes TPV ENERGY SYSTEMS, INC. (US) 1989-11-28 US disclosed
US-4826426-A RARE EARTH OXIDES TPV ENERGY SYSTEMS, INC. (US) 1989-05-02 US disclosed
US-4764104-A Narrow band thermal emitter TPV ENERGY SYSTEMS, INC. (US) 1988-08-16 US disclosed
US-4584426-A RARE EARTH OXIDCE RADIATOR THE GILLETTE COMPANY (US) 1986-04-22 US disclosed
EP-0139434-A2 Thermophotovoltaic technology White Consolidated Industries, Inc. (US) 1985-05-02 EP disclosed