Water

Water

SCHEMBL8102707

O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Sc+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 SCHEMBL16430834 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL3597571 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2019827 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2587823 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2590832 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28398822 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10566608 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28478211 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL887970 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL708617 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4678599-A1 COMPOUND, COMPOUND PARTICLES, NEAR-INFRARED TRANSMISSION MATERIAL, AND NEAR-INFRARED TRANSMISSION FILM Mitsui Mining & Smelting Co., Ltd (JP) 2026-01-14 EP disclosed
CN-112514078-B Coating liquid for forming metal oxide film, oxide insulator film, field effect transistor, display element, image display device, and system 株式会社理光 2025-02-11 CN disclosed
WO-2024190676-A1 COMPOUND, COMPOUND PARTICLES, NEAR-INFRARED TRANSMISSION MATERIAL, AND NEAR-INFRARED TRANSMISSION FILM 三井金属鉱業株式会社 2024-09-19 WO disclosed
EP-4391083-A2 COATING LIQUID FOR FORMING N-TYPE OXIDE SEMICONDUCTOR FILM, METHOD FOR PRODUCING N-TYPE OXIDE SEMICONDUCTOR FILM, AND METHOD FOR PRODUCING FIELD-EFFECT TRANSISTOR Ricoh Company, Ltd. (JP) 2024-06-26 EP disclosed
EP-3350839-B1 COATING LIQUID FOR FORMING N-TYPE OXIDE SEMICONDUCTOR FILM, METHOD FOR PRODUCING N-TYPE OXIDE SEMICONDUCTOR FILM, AND METHOD FOR PRODUCING FIELD-EFFECT TRANSISTOR RICOH CO LTD (JP) 2024-06-12 EP disclosed
EP-3550595-B1 COATING LIQUID FOR FORMING OXIDE OR OXYNITRIDE INSULATOR FILM AND A METHOD FOR MANUFACTURING USING THE COATING LIQUID RICOH CO LTD (JP) 2024-04-10 EP disclosed
US-11908945-B2 Coating liquid for forming n-type oxide semiconductor film, method for producing n-type oxide semiconductor film, and method for producing field-effect transistor RICOH COMPANY, LTD. (JP) 2024-02-20 US disclosed
US-11901431-B2 Coating liquid for forming metal oxide film, oxide insulator film, field-effect transistor, display element, image display device, and system RICOH COMPANY, LTD. (JP) 2024-02-13 US disclosed
CN-110024089-B Oxide or oxynitride insulator film, coating liquid for forming the same, field effect transistor, and method for manufacturing the same 株式会社理光 2023-06-27 CN disclosed
US-11502203-B2 Coating liquid for forming metal oxide film, oxide film, field-effect transistor, and method for producing the same RICOH COMPANY, LTD. (JP) 2022-11-15 US disclosed
EP-3599646-A2 METAL OXIDE, FIELD-EFFECT TRANSISTOR, AND METHOD FOR PRODUCING THE SAME Ricoh Company, Ltd. (JP) 2020-01-29 EP disclosed
CN-110431656-A Coating liquid for forming metal oxide film, field effect transistor and method for producing the same RICOH CO LTD 2019-11-08 CN disclosed
EP-3550595-A1 COATING LIQUID FOR FORMING OXIDE OR OXYNITRIDE INSULATOR FILM, OXIDE OR OXYNITRIDE INSULATOR FILM, FIELD EFFECT TRANSISTOR, AND METHODS FOR MANUFACTURING THESE Ricoh Company, Ltd. (JP) 2019-10-09 EP disclosed
US-20190280098-A1 COATING LIQUID FOR FORMING OXIDE OR OXYNITRIDE INSULATOR FILM, OXIDE OR OXYNITRIDE INSULATOR FILM, FIELD-EFFECT TRANSISTOR, AND METHOD FOR PRODUCING THE SAME RICOH COMPANY, LTD. (JP) 2019-09-12 US disclosed
CN-110024089-A Coating liquid for forming oxide or oxynitride insulator film, field effect transistor, and method for producing these 株式会社理光 2019-07-16 CN disclosed
US-20190051752-A1 COATING LIQUID FOR FORMING N-TYPE OXIDE SEMICONDUCTOR FILM, METHOD FOR PRODUCING N-TYPE OXIDE SEMICONDUCTOR FILM, AND METHOD FOR PRODUCING FIELD-EFFECT TRANSISTOR RICOH COMOANY, LTD. (JP) 2019-02-14 US disclosed
EP-3350839-A1 COATING LIQUID FOR FORMING N-TYPE OXIDE SEMICONDUCTOR FILM, METHOD FOR PRODUCING N-TYPE OXIDE SEMICONDUCTOR FILM, AND METHOD FOR PRODUCING FIELD-EFFECT TRANSISTOR Ricoh Company, Ltd. (JP) 2018-07-25 EP disclosed
CN-108028270-A For forming coating fluid, n-type oxide semiconductor film manufacture method and the manufacturing method for field effect transistor of n-type oxide semiconductor film 株式会社理光 2018-05-11 CN disclosed
US-20170162704-A1 FIELD-EFFECT TRANSISTOR, DISPLAY ELEMENT, IMAGE DISPLAY DEVICE, AND SYSTEM RICOH COMPANY, LTD. (JP) 2017-06-08 US disclosed
US-6017442-A Hydrocarbon conversion with dual metal promoted zeolite PHILLIPS PETROLEUM COMPANY (US) 2000-01-25 US disclosed