Water

Water

SCHEMBL744582

O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[In+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 SCHEMBL29168442 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL892502 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL747141 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28339176 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL8021457 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2590832 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28398822 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28478211 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL50075 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 284 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120156164-A Liquid packaging quantum dot nano composite light conversion agricultural film and preparation method thereof 中国科学院长春光学精密机械与物理研究所 2025-06-17 CN claimed
CN-120054574-A In (In)2O3/g-C3N4Preparation method and application of heterojunction nanofiber photocatalyst 辽宁大学 2025-05-30 CN claimed
CN-119565587-A Oxide-molecular sieve series catalyst and application thereof 武汉科技大学 2025-03-07 CN claimed
CN-119215939-A Preparation method and application of bismuth oxybromide/indium oxide heterojunction photocatalytic material 中原工学院 2024-12-31 CN claimed
CN-119086655-A Indium oxide-based gas-sensitive material and preparation method and application thereof 四方光电股份有限公司 2024-12-06 CN claimed
CN-118988362-A MoC quantum dot/sulfur indium zinc composite photocatalyst with lattice strain and preparation method and application thereof 西安工业大学 2024-11-22 CN claimed
CN-118904332-A High-dispersion noble metal modified indium oxide catalyst and preparation method and application thereof 郑州大学 2024-11-08 CN claimed
CN-118874457-A In (In)2O3/W18O49Preparation method and application of heterojunction nanofiber photocatalyst 辽宁大学 2024-11-01 CN claimed
CN-118684904-A BiLn-MOF material capable of emitting green light and preparation method thereof 昆明理工大学 2024-09-24 CN claimed
CN-118562171-A Carbon fiber composite polyether-ether-ketone film with photocatalytic degradation effect and preparation method thereof 吉林省聚科高新材料有限公司 2024-08-30 CN claimed
CN-114674896-A Preparation method of photoelectrochemical NSE sensor based on controlled release ZIF-8 shielding shell 济南大学 2022-06-28 CN claimed
CN-114618528-A Ti having photocatalytic propertiesO2/CuInS2Preparation method and application of hollow nanospheres 吉林化工学院 2022-06-14 CN claimed
CN-114534745-A Zero-dimensional cerium oxide/three-dimensional porous calcium indium sulfide composite nano material and preparation method and application thereof 武汉理工大学 2022-05-27 CN claimed
CN-111974427-B Tungsten oxide nanorod/titanium carbide quantum dot/indium sulfide nanosheet Z-type heterojunction composite material and preparation method and application thereof 苏州大学 2022-04-15 CN claimed
CN-114292409-A Metal organic framework material with ethane and methane adsorption separation function and preparation method thereof 西北大学 2022-04-08 CN claimed
CN-113680359-A Tungsten oxide nanorod/tin ion modified titanium carbide quantum dot/indium sulfide nanosheet composite material and preparation method and application thereof 苏州大学 2021-11-23 CN claimed
CN-111974427-A Tungsten oxide nanorod/titanium carbide quantum dot/indium sulfide nanosheet Z-type heterojunction composite material and preparation method and application thereof 苏州大学 2020-11-24 CN claimed
CN-111203232-A SnIn4S8Preparation method of CdS protection type core-shell rod-shaped heterojunction composite photocatalyst 江苏大学 2020-05-29 CN claimed
US-5318800-A Method of forming high temperature thermally stable micron metal oxide coatings on substrates and improved metal oxide coated products ACADEMY OF APPLIED SCIENCE 1994-06-07 US claimed
WO-1992019391-A1 METHOD OF FORMING METAL OXIDE COATINGS GONG BENMIN (US) 1992-11-12 WO claimed