Water

Water

SCHEMBL2025101

O.O.O.O.O.O.O.O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zn+2]

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 SCHEMBL9150589 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL4375705 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL15068042 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL719719 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL4378846 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL1653807 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL7264813 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL194819 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL60878 1.00 MEN1 (0.67) MEN1KMT2ACA5ACA5BTSHR
Water SCHEMBL22204649 0.94 MEN1 (0.60) 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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114700087-B Efficient visible light photocatalytic material and preparation method and application thereof 广西大学 2023-09-29 CN claimed
US-11760866-B2 White pigment comprising ZIF-based powder, polymer resin film and method for changing color of medium using white pigment LG CHEM, LTD. (KR) 2023-09-19 US claimed
CN-114700087-A Efficient visible light photocatalytic material and preparation method and application thereof 广西大学 2022-07-05 CN claimed
CN-113880639-A Humic acid fertilizer and preparation method thereof 淄博新农基作物科学有限公司 2022-01-04 CN claimed
EP-3666829-B1 USE OF ZIF-BASED POWDER AS WHITE PIGMENT LG CHEMICAL LTD (KR) 2025-11-12 EP disclosed
CN-119529290-A Nitrogen-containing heterocyclic cross-linked polyphosphazene and hybrid derivative thereof, flame-retardant polyurea elastomer and epoxy resin 青岛大学 2025-02-28 CN disclosed
CN-119406435-A Tandem catalyst and preparation method and application thereof 华中师范大学 2025-02-11 CN disclosed
CN-119371460-A Octamolybdate metal organic complex and preparation method and application thereof 兴义民族师范学院 2025-01-28 CN disclosed
CN-118122384-A Preparation method of metal catalyst material and application of metal catalyst material in controllably degrading polysaccharide 南京师范大学 2024-06-04 CN disclosed
CN-117923967-A Plant micronutrient complexing agent and preparation method and application thereof 武汉工程大学 2024-04-26 CN disclosed
CN-114700087-B Efficient visible light photocatalytic material and preparation method and application thereof 广西大学 2023-09-29 CN disclosed
CN-114700087-B Efficient visible light photocatalytic material and preparation method and application thereof 广西大学 2023-09-29 CN disclosed
CN-102109786-A Image forming apparatus SHARP KK 2011-06-29 CN disclosed
EP-1498177-B1 hydrodesulfurization process for gasoline fractions NIPPON OIL CORP (JP) 2010-09-08 EP disclosed
US-7776784-B2 Hydrodesulfurization catalyst and hydrodesulfurization process for gasoline fractions NIPPON OIL CORPORATION (JP) 2010-08-17 US disclosed
CN-101098673-A Dental fillers and compositions including phosphate salts 3M INNOVATIVE PROPERTIES CO (US) 2008-01-02 CN disclosed
US-20050023192-A1 Hydrodesulfurization catalyst and hydrodesulfurization process for gasoline fractions NIPPON OIL CORPORATION (JP) 2005-02-03 US disclosed
EP-1498177-A1 Hydrodesulfurization catalyst and hydrodesulfurization process for gasoline fractions Nippon Oil Corporation (JP) 2005-01-19 EP disclosed
US-6462102-B1 POLYMER FROM UNSATURATED MONOMERS HAVING SIDE CHAIN GROUPS CONTAINING TRISUBSTITUTED BORANE AMINES AND/OR 2-PYRIDINE-THIOL METAL AMINES; LOW TOXICITY; SUSTAINED RELEASE NIPPON PAINT CO., LTD. (JP) 2002-10-08 US disclosed
EP-1086996-A1 Resin for use in an antifouling coating and antifouling coating Nippon Paint Co., Ltd. (JP) 2001-03-28 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 (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-11760866-B2 White pigment comprising ZIF-based powder, polymer resin film and method for changing color of medium using white pigment IKZF2, ZKSCAN2, PUF60 MEN1 3773/4885KMT2A 279/4885CA5A 2830/4885

“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.