Water

Water

SCHEMBL19640167

O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3].[NH4+]

nearest known ligand 0.78

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 0.78
KMT2A Q03164 1/20 0.78
CA5A P35218 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33

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 SCHEMBL8512246 1.00 MEN1 (0.78) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL3229361 1.00 MEN1 (0.78) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL5330986 1.00 MEN1 (0.78) MEN1KMT2ACA5ACA5BTSHR
Ammonia Solution, Strong SCHEMBL246568 0.94 MEN1 (0.88) MEN1KMT2ACA5ACA5BTSHR
Ammonia Solution, Strong SCHEMBL29907 0.94 MEN1 (0.88) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28443273 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL235757 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL28600144 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL16265947 0.94 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL2799391 0.94 MEN1 (0.67) 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12595388-B2 Aqueous dispersion of cerium (III) carbonate particles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2026-04-07 US disclosed
US-12492478-B2 Coated and plated steel sheet or coated and plated steel strip NIPPON STEEL CORPORATION (JP) 2025-12-09 US disclosed
US-20250083971-A1 CERIUM (III) CARBONATE FORMULATIONS UNIV CALIFORNIA (US) 2025-03-13 US disclosed
CN-115605434-B Preparation of cerium (III) carbonate dispersions 加利福尼亚大学董事会 2025-02-11 CN disclosed
CN-115605433-B Preparation of cerium (III) carbonate dispersions 加利福尼亚大学董事会 2025-02-07 CN disclosed
CN-115605435-B Aqueous dispersion of cerium (III) carbonate particles 加利福尼亚大学董事会 2025-02-07 CN disclosed
US-20250026941-A1 COATING COMPOSITION WITH CERIUM(III) CARBONATE AND A PHOTOINITIATOR ROHM AND HAAS COMPANY 2025-01-23 US disclosed
US-12180084-B2 Cerium (III) carbonate formulations THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-31 US disclosed
EP-4448661-A1 COATING COMPOSITION WITH CERIUM(III) CARBONATE AND A PHOTOINITIATOR Rohm and Haas Company (US) 2024-10-23 EP disclosed
US-20240229245-A9 COATED AND PLATED STEEL SHEET OR COATED AND PLATED STEEL STRIP NIPPON STEEL CORPORATION (JP) 2024-07-11 US disclosed
US-20220212946-A1 CERIUM (III) CARBONATE FORMULATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-07-07 US disclosed
EP-3958984-A1 CERIUM (III) CARBONATE FORMULATIONS The Regents of the University of California (US) 2022-03-02 EP disclosed
CN-113924077-A Cerium (III) carbonate formulations 加利福尼亚大学董事会 2022-01-11 CN disclosed
WO-2021188228-A1 AQUEOUS DISPERSION OF CERIUM (III) CARBONATE PARTICLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-23 WO disclosed
WO-2021188229-A1 PREPARATION OF CERIUM (III) CARBONATE DISPERSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-23 WO disclosed
WO-2021188227-A1 PREPARATION OF CERIUM (III) CARBONATE DISPERSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-23 WO disclosed
US-20200339435-A1 CERIUM (III) CARBONATE FORMULATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-10-29 US disclosed
WO-2020219674-A1 CERIUM (III) CARBONATE FORMULATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-10-29 WO disclosed
US-10351705-B2 2019-07-16 US disclosed
US-20170342271-A1 COLOR MATERIAL DISPERSION LIQUID FOR COLOR FILTER, COLOR RESIN COMPOSITION FOR COLOR FILTER, COLOR MATERIAL, COLOR FILTER, LIQUID CRYSTAL DISPLAY DEVICE, AND LIGHT-EMITTING DISPLAY DEVICE DAI NIPPON PRINTING CO., LTD. (JP) 2017-11-30 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-12595388-B2 Aqueous dispersion of cerium (III) carbonate particles RNMT, CAPZA2, LBR MEN1 4048/4885KMT2A 2240/4885CA5A 2299/4885

“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.