Water

Water

SCHEMBL199335

O.O.O.O.O.O.O.O.O=[N+]([O-])[O-].[GaH3]

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 SCHEMBL148527 1.00
Water SCHEMBL2807133 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL15333410 1.00
Water SCHEMBL900387 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
SCHEMBL5858770 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10566608 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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559855-B2 Composite substrate, method for producing composite substrate, and method for producing gallium oxide crystal film NGK INSULATORS, LTD. (JP) 2026-02-24 US disclosed
EP-4628556-A2 POLISHING METHOD AND POLISHING COMPOSITION Fujimi Incorporated (JP) 2025-10-08 EP disclosed
CN-114585776-B Gallium oxide crystal production method 日本碍子株式会社 2025-06-03 CN disclosed
US-12163252-B2 Method for producing an α- or β-gallium oxide crystal by bring an aqueous solution including Ga ions into a supercritical state NGK INSULATORS, LTD. (JP) 2024-12-10 US disclosed
US-12110422-B2 Polishing method and polishing composition FUJIMI INCORPORATED (JP) 2024-10-08 US disclosed
CN-118477667-A High-activity high-selectivity CO2Co-based intermetallic carbide catalyst for preparing methanol by hydrogenation and preparation method and application thereof 浙江工业大学 2024-08-13 CN 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
US-12018401-B2 Gallium oxide single crystal particle and method for producing the same NGK INSULATORS, LTD. (JP) 2024-06-25 US 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
CN-115155649-B Heteroatom microporous molecular sieve catalyst, preparation method, application of heteroatom microporous molecular sieve catalyst in isobutene amination and continuous regeneration method 万华化学集团股份有限公司 2024-04-12 CN disclosed
US-20060130652-A1 Adsorbent for adsorption heat pump, adsorbent for humidity-control air conditioner, adsorption heat pump and humidity-control air conditioner MITSUBISHI CHEMICAL CORPORATION (JP) 2006-06-22 US disclosed
EP-1610084-A1 ADSORBENT FOR ADSORPTION HEAT PUMP, ADSORBENT FOR MOISTURE REGULATING CONDITIONER, ADSORPTION HEAT PUMP AND MOISTURE REGULATING CONDITIONER Mitsubishi Chemical Corporation (JP) 2005-12-28 EP disclosed
EP-0747339-B2 Process for production of (poly)alkylene glycol monoalkyl ether NIPPON CATALYTIC CHEM IND (JP) 2002-07-17 EP disclosed
EP-0747339-A1 Process for production of (poly)alkylene glycol monoalkyl ether NIPPON SHOKUBAI CO., LTD. (JP) 1996-12-11 EP disclosed
US-5380692-A Pollution control SAKAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US disclosed
EP-0532024-A1 Catalyst for catalytic reduction of nitrogen oxide SAKAI CHEMICAL INDUSTRY CO., LTD., (JP) 1993-03-17 EP disclosed
EP-0019476-B1 CATALYST AND PROCESS FOR PRODUCING ORTHO-METHYL SUBSTITUTED PHENOLS USING IT MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-01-18 EP disclosed
US-4329517-A COMPRISING IRON OXIDE COMPONENT MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1982-05-11 US disclosed
EP-0019476-A2 Catalyst and process for producing ortho-methyl substituted phenols using it MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1980-11-26 EP disclosed
US-4003920-A OXIDATION OF UNSATURATED HYDROCARBONS KURARAY CO., LTD. (JA) 1977-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12559855-B2 Composite substrate, method for producing composite substrate, and method for producing gallium oxide crystal film COG2, COPG2, CORO1C MEN1 1798/4885KMT2A 2561/4885CA5A 1651/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.