Water

Water

SCHEMBL864448

O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Rh+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 SCHEMBL3419499 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL8781382 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL7042239 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28478211 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2590832 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28398822 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10896609 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL9166412 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10566608 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL26978 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 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464173-B1 CATALYST FOR LOW TEMPERATURE ETHANOL STEAM REFORMING AND RELATED PROCESS KT KINETICS TECH S P A (IT) 2024-08-07 EP claimed
CN-115532302-B Ultra-thin molecular sieve nano-sheet domain-limited high-dispersion Rh atomic cluster catalyst and preparation method and application thereof 中国科学院大连化学物理研究所 2024-02-02 CN claimed
US-11724936-B2 Catalyst for low temperature ethanol steam reforming and related process KT—Kinetics Technology S.p.A. (IT) 2023-08-15 US claimed
CN-115532302-A Ultra-thin molecular sieve nanosheet limited-domain high-dispersion Rh cluster catalyst, and preparation method and application thereof 中国科学院大连化学物理研究所 2022-12-30 CN claimed
US-11396709-B2 Electrode for electrolysis and preparation method thereof LG CHEM, LTD. (KR) 2022-07-26 US claimed
US-11007514-B2 Ammonia facilitated cation loading of zeolite catalysts PACCAR INC (US) 2021-05-18 US claimed
EP-3492631-B1 ELECTROLYTIC ELECTRODE AND MANUFACTURING METHOD THEREFOR LG CHEMICAL LTD (KR) 2021-03-03 EP claimed
CN-109790634-B Electrode for electrolysis and preparation method thereof 株式会社LG化学 2021-02-23 CN claimed
US-20190211464-A1 ELECTRODE FOR ELECTROLYSIS AND PREPARATION METHOD THEREOF LG CHEM, LTD. (KR) 2019-07-11 US claimed
EP-3492631-A1 ELECTROLYTIC ELECTRODE AND MANUFACTURING METHOD THEREFOR LG Chem, Ltd. (KR) 2019-06-05 EP claimed
CN-109790634-A Electrode for electrolysis and preparation method thereof 株式会社LG化学 2019-05-21 CN claimed
US-20190127220-A1 CATALYST FOR LOW TEMPERATURE ETHANOL STEAM REFORMING AND RELATED PROCESS KT - KINETICS TECHNOLOGY S.P.A. (IT) 2019-05-02 US claimed
EP-3464173-A1 CATALYST FOR LOW TEMPERATURE ETHANOL STEAM REFORMING AND RELATED PROCESS KT - Kinetics Technology S.p.A. (IT) 2019-04-10 EP claimed
US-12613208-B2 Gas sensor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2026-04-28 US disclosed
US-12565422-B2 Ammonia and urea production in reverse flow reactors ExxonMobil Technology and Engineering Company (US) 2026-03-03 US disclosed
EP-4300089-B1 GAS SENSOR JAPAN SCIENCE & TECH AGENCY (JP) 2026-01-14 EP disclosed
WO-2002066403-A1 SUPPORTED RHODIUM-SPINEL CATALYSTS AND PROCESS FOR PRODUCING SYNTHESIS GAS CONOCO INC. (US) 2002-08-29 WO disclosed
US-4506033-A Process for producing oxygen-containing hydrocarbon compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-03-19 US disclosed
EP-0022358-B1 PROCESS FOR PRODUCING OXYGEN-CONTAINING HYDROCARBON COMPOUNDS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1983-06-22 EP disclosed
EP-0022358-A1 Process for producing oxygen-containing hydrocarbon compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-01-14 EP 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 (2 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-12565422-B2 Ammonia and urea production in reverse flow reactors CPS1, CYP2W1, NIT2 MEN1 4265/4885KMT2A 3976/4885CA5A 1059/4885
US-12613208-B2 Gas sensor ROS1, HAO2, DUOX2 MEN1 3936/4885KMT2A 3361/4885CA5A 436/4885

“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.