Water

Water

SCHEMBL4379599

O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Sm+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 SCHEMBL7153814 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2177000 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28395992 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1518871 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28478211 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28398822 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL708617 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2590832 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL338790 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10896609 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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118126320-A Preparation method of MOFs-derived doped oxide perovskite composite polypyrrole and application of MOFs-derived doped oxide perovskite composite polypyrrole in wave-absorbing material 哈尔滨工程大学 2024-06-04 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-115364843-B Sm-Ti-MMT catalyst for synthesizing methyl phenyl carbonate, and preparation method and application thereof 河南科技学院 2023-05-23 CN claimed
CN-115364843-A Sm-Ti-MMT catalyst for synthesizing methyl phenyl carbonate and preparation method and application thereof 河南科技学院 2022-11-22 CN claimed
CN-110791287-B Rare earth doped tungsten molybdate and preparation method and application thereof 合肥学院 2022-08-05 CN claimed
CN-113652716-B Process for electrolyzing high-nickel copper anode by adopting periodic reverse current 江西新金叶实业有限公司 2022-07-12 CN claimed
CN-113652716-A Process for electrolyzing high-nickel copper anode by adopting periodic reverse current 江西新金叶实业有限公司 2021-11-16 CN claimed
CN-110791287-A Rare earth doped tungsten molybdate and preparation method and application thereof 合肥学院 2020-02-14 CN claimed
US-20250333862-A1 SOLID OXIDE ELECTROLYSIS CELL AND METHOD OF MANUFACTURING THE SAME HYUNDAI MOTOR COMPANY (KR) 2025-10-30 US disclosed
US-20250305165-A1 OXYGEN ELECTRODE FOR SOLID OXIDE ELECTROLYSIS CELL AND METHOD OF MANUFACTURING THE SAME HYUNDAI MOTOR COMPANY (KR) 2025-10-02 US disclosed
CN-118267508-B Metal-based composite antibacterial liquid and preparation method and application thereof 太禾(天津)医用材料有限公司 2024-08-09 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-118267508-A Metal-based composite antibacterial liquid and preparation method and application thereof 太禾(天津)医用材料有限公司 2024-07-02 CN disclosed
CN-118126320-A Preparation method of MOFs-derived doped oxide perovskite composite polypyrrole and application of MOFs-derived doped oxide perovskite composite polypyrrole in wave-absorbing material 哈尔滨工程大学 2024-06-04 CN disclosed
US-7612005-B2 Cerium-based oxide fiber and its fabricating method NATIONAL TAIWAN UNIVERSITY (TW) 2009-11-03 US disclosed
US-7550637-B2 Catalyst and process for selective hydrogenation EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-06-23 US disclosed
US-20070184965-A1 Cerium-based oxide fiber and its fabricating method NATIONAL TAIWAN UNIVERSITY 2007-08-09 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