Water

Water

SCHEMBL355467

O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pr+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 SCHEMBL1047653 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL9150491 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL7145282 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10904945 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
Water SCHEMBL10896609 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10566608 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL193086 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 574 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122016961-A Modified electrode for detecting perfluorooctane sulfonate in electrogalvanizing solution and preparation method thereof 常州大学 2026-05-12 CN claimed
CN-121571173-A Fluorine doped high entropy oxide catalyst and preparation method and application thereof 河北工业大学 2026-02-27 CN claimed
EP-4630187-A1 PRODUCTION OF SILVER NANOPARTICLES BY GREEN SYNTHESIS USING HAZELNUT HUSK EXTRACT Bahçesehir Üniversitesi (TR) 2025-10-15 EP claimed
US-20250312777-A1 CUBIC FLUORITE RARE-EARTH HIGH ENTROPY OXIDES AND THEIR CATALYSIS APPLICATIONS UNIV KHALIFA SCIENCE & TECHNOLOGY (AE) 2025-10-09 US claimed
CN-116809070-B Monoatomic catalyst for low-temperature reverse steam transformation and preparation method thereof 燕山大学 2025-05-13 CN claimed
CN-119852431-A Double-layer perovskite cathode material and preparation method and application thereof 浙江理工大学 2025-04-18 CN claimed
CN-119733500-A Low-temperature rare earth-based denitration catalyst with nano synaptic structure and preparation method and application thereof 南京工业大学 2025-04-01 CN claimed
CN-119638550-A Green methanol preparation method of controllable micro-channel reactor based on low-temperature plasma activation 武汉京运新能源云技术有限公司 2025-03-18 CN claimed
CN-119591165-A Spin regulation method of perovskite oxide and application of perovskite oxide in electrocatalytic nitrate reduction reaction 江南大学 2025-03-11 CN claimed
CN-119601693-A Rare earth doped Pt-based high-entropy intermetallic compound, preparation and application 吉林大学 2025-03-11 CN claimed
CN-110845523-A Rare earth metal organic complex microsphere wave-absorbing material and preparation method thereof 中国海洋大学 2020-02-28 CN claimed
CN-110615807-A Rare earth metal organic complex wave-absorbing material and preparation method thereof 中国海洋大学 2019-12-27 CN claimed
CN-110560074-A Preparation method and application of Pr modified Co-B catalyst 天津工业大学 2019-12-13 CN claimed
CN-109453761-A A kind of SCR honeycomb type denitrating catalyst and preparation method thereof 华电青岛环保技术有限公司 2019-03-12 CN claimed
CN-108404902-A A kind of SCR honeycomb types denitrating catalyst and preparation method thereof 华电青岛环保技术有限公司 2018-08-17 CN claimed
US-9647275-B2 Bi-functional catalysts for oxygen reduction and oxygen evolution STC.UNM (US) 2017-05-09 US claimed
CN-105195157-A Carbon monoxide low-temperature oxidation catalyst UNIV GUANGDONG PETROCHEM TECH 2015-12-30 CN claimed
US-20150180046-A1 Bi-Functional Catalysts for Oxygen Reduction and Oxygen Evolution STC.UNM (US) 2015-06-25 US claimed
WO-2013187976-A1 BI-FUNCTIONAL CATALYSTS FOR OXYGEN REDUCTION AND OXYGEN EVOLUTION STC.UNM (US) 2013-12-19 WO claimed
WO-2010000591-A2 FLUORESCENT CYCLIC PEPTIDES, METHODS FOR THE PREPARATION THEREOF, AND USE OF SAID PEPTIDES FOR MEASURING THE ENZYMATIC ACTIVITY OF A PROTEASE ENZYME COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-07 WO claimed

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-20250312777-A1 CUBIC FLUORITE RARE-EARTH HIGH ENTROPY OXIDES AND THEIR CATALYSIS APPLICATIONS CA13, CA12, CA14 MEN1 1161/4885KMT2A 3185/4885CA5A 845/4885

“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.