Water

Water

SCHEMBL1170445

O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Gd+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 SCHEMBL6269085 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL16265933 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL4370443 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28398822 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
SCHEMBL66249 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28478211 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2590832 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10566608 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL708617 0.94 MEN1 (0.75) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL10896609 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 827 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120484506-B High-low temperature resistant, acid-alkali resistant and radiation resistant wave-transparent polyphenylene sulfide composite material and preparation method thereof 广东鸿塑科技有限公司 2026-05-19 CN claimed
CN-122051264-A Reversible oxygen ion conductor ceramic fuel cell and preparation method thereof 中国科学院上海应用物理研究所 2026-05-15 CN claimed
CN-122010188-A Synthesis process of small-particle-size basic cobalt carbonate 怀化炯诚新材料科技有限公司 2026-05-12 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-120078523-A Medical rare earth glove for preventing sharps injury and preparation method 天津市肿瘤医院(天津医科大学肿瘤医院) 2025-06-03 CN claimed
CN-120091551-A Flexible electromagnetic shielding material and preparation method thereof 深圳鼎信德新材料科创有限公司 2025-06-03 CN claimed
CN-120044077-A Sensitive material for detecting gastric cancer interference gas acetone, sensor and preparation method 西安电子科技大学 2025-05-27 CN claimed
CN-119976931-A Synthesis method of high-purity anhydrous rare earth fluoride 中国科学院上海有机化学研究所 2025-05-13 CN claimed
CN-119900109-A Stannate fiber with high-entropy rare earth pyrochlore structure and preparation method thereof 石家庄铁道大学 2025-04-29 CN claimed
CN-103495185-A Preparation method of functionalized polyethyleneimine-modified multi-wall carbon nano-tube magnetic resonance imaging contrast agent UNIV DONGHUA 2014-01-08 CN claimed
US-20130230659-A1 FINE-POROSITY CERAMIC COATING VIA SPPS SIEMENS AKTIENGESELLSCHAFT (DE) 2013-09-05 US claimed
EP-2614173-A1 FINE-POROSITY CERAMIC COATING VIA SPPS Siemens Aktiengesellschaft (DE) 2013-07-17 EP claimed
CN-103012450-A Gadolinium compound with dual functions of magnetic refrigeration function and ferroelectric function and preparation method thereof UNIV NANKAI 2013-04-03 CN claimed
WO-2012062547-A1 FINE-POROSITY CERAMIC COATING VIA SPPS SIEMENS AKTIENGESELLSCHAFT (DE) 2012-05-18 WO claimed
EP-2453036-A1 Fine porous ceramic coating using SPPS SIEMENS AKTIENGESELLSCHAFT (DE) 2012-05-16 EP claimed
EP-1993568-A2 METHOD OF TREATING PERIODONTITIS AND OF REDUCING DENTINAL SENSITIVITY THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-11-26 EP claimed
WO-2007142804-A2 PREPARATION OF COMPLEXING AGENTS AND METAL ION COMPLEXES IN AQUEOUS MEDIA MALLINCKRODT INC. (US) 2007-12-13 WO claimed
WO-2007100541-A2 METHOD OF TREATING PERIODONTITIS AND OF REDUCING DENTINAL SENSITIVITY RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2007-09-07 WO claimed
US-20070196288-A1 Method of treating periodontitis and of reducing dentinal sensitivity RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK 2007-08-23 US 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.