Water

Water

SCHEMBL1047653

O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pr+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 SCHEMBL355467 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL9150491 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL7145282 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10904945 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28478211 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28398822 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2590832 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10896609 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10566608 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL193086 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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117361602-A Preparation method of rare earth ion doped monodisperse spherical cerium dioxide nano particles 吉林大学 2024-01-09 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-116116419-A Cerium-based perovskite catalyst for catalytic oxidation of diesel particulate matters, and preparation method and application thereof 大连海事大学 2023-05-16 CN claimed
CN-114656262-B High-entropy ceramic aerogel powder with low thermal conductivity and preparation method thereof 太原理工大学 2023-02-24 CN claimed
CN-114656262-A High-entropy ceramic aerogel powder with low thermal conductivity and preparation method thereof 太原理工大学 2022-06-24 CN claimed
CN-109628104-A It is a kind of for improveing the modifying agent of sulfate-salinized soil 宁夏大学 2019-04-16 CN claimed
EP-4606771-A1 ZIRCONIA-CONTAINING ALUMINA-BASED COMPOSITE OXIDE AND METHOD FOR PRODUCING ZIRCONIA-CONTAINING ALUMINA-BASED COMPOSITE OXIDE Daiichi Kigenso Kagaku Kogyo Co., Ltd. (JP) 2025-08-27 EP disclosed
CN-116162023-B Method for preparing ethyl acetate by alcohol dehydrogenation condensation 中国科学院大连化学物理研究所 2025-02-11 CN disclosed
WO-2024181300-A1 ZIRCONIA-CONTAINING ALUMINA-BASED COMPOSITE OXIDE AND METHOD FOR PRODUCING ZIRCONIA-CONTAINING ALUMINA-BASED COMPOSITE OXIDE 第一稀元素化学工業株式会社 2024-09-06 WO disclosed
CN-115916395-B Ammonia decomposition catalyst, ammonia decomposition method using same, and hydrogen production method 韩国化学研究院 2024-08-20 CN disclosed
CN-118384881-A Catalyst for producing hydrogen by ammonia decomposition, preparation method, application and coating process 吉林大学 2024-07-26 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-20240088402-A1 Solid Oxide Cell GEORGIA TECH RESEARCH CORPORATION 2024-03-14 US disclosed
US-20050288538-A1 Catalyst and process for selective hydrogenation LOWE DAVID M 2005-12-29 US disclosed
WO-2005051538-A1 CATALYST AND PROCESS FOR SELECTIVE HYDROGENATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-06-09 WO disclosed
US-20050113614-A1 Catalyst and process for selective hydrogenation EXXONMOBIL CHEMICAL PATENTS INC. 2005-05-26 US disclosed
US-6274110-B1 MIXING HYDRATED METAL NITRATE SOLUTION SELECTED FROM ALUMINUM AND RARE EARTH ELEMENTS; HEATING MIXTURE IN PRESENCE OF WATER WITHOUT IGNITION TO FORM A HOMOGENEOUS MELT; HEATING TO DECOMPOSE MELT AND FORMING AMORPHOUS COMPLEX OXIDE Kim, Yuen Shik (KR) 2001-08-14 US disclosed
WO-1995029379-A1 COMPLEX OXIDE PRECURSOR AND PROCESS FOR PREPARING THE SAME KIM YEUN SHIK (KR) 1995-11-02 WO disclosed
WO-1991004239-A1 SILVER-CONTAINING CATALYSTS FOR OXIDATIVE COUPLING UNION CARBIDE CHEMICALS AND PLASTICS COMPANY INC. (US) 1991-04-04 WO disclosed
EP-0418974-A1 Silver-containing catalysts for oxidative coupling UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1991-03-27 EP disclosed