Water

Water

SCHEMBL8470623

CC(C)C1CC(=O)CC(=O)C1.O

nearest known ligand 0.39

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 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
MAPK1 P28482 1/20 0.30

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
SCHEMBL1047817 0.97 MAPT (0.41) MAPTGAANOS3NOS1NOS2
SCHEMBL1089769 0.86
SCHEMBL918389 0.76 MAPK1 (0.41) NOS3NOS1NOS2MAPK1
SCHEMBL11579557 0.73 MAPT (0.44) MAPTGAAHCAR2
SCHEMBL11162906 0.73 MAPT (0.36) MAPTGAA
SCHEMBL9347644 0.73 MAPT (0.36) MAPTGAA
SCHEMBL14628363 0.72
SCHEMBL6520242 0.72
SCHEMBL1823080 0.72
SCHEMBL8018412 0.70 CES2 (0.35) MAPTGAA

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250194617-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-06-19 US claimed
US-20250169514-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-05-29 US claimed
US-20230380457-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2023-11-30 US claimed
EP-4280882-A2 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. (US) 2023-11-29 EP claimed
US-20230363426-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2023-11-16 US claimed
US-11793220-B2 Materials and methods for extending shelf-life of foods JP LABORATORIES, INC. (US) 2023-10-24 US claimed
CN-116916755-A Materials and methods for extending the shelf life of food products JP实验室公司 2023-10-20 CN claimed
US-11737481-B2 Materials and methods for extending shelf-life of foods JP LABORATORIES, INC. (US) 2023-08-29 US claimed
US-20220264914-A1 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. 2022-08-25 US claimed
WO-2022159439-A2 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. (US) 2022-07-28 WO claimed
US-20220225646-A1 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. 2022-07-21 US claimed
US-20220225647-A1 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. 2022-07-21 US claimed
US-5902390-A Ink compositions containing ketones XEROX CORPORATION (US) 1999-05-11 US claimed
US-12402638-B2 Materials and methods for extending shelf-life of foods JP LABORATORIES, INC. (US) 2025-09-02 US disclosed
US-20250194617-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-06-19 US disclosed
US-20250169514-A1 Materials and Methods for Extending Shelf-Life of Foods JP LABORATORIES, INC. 2025-05-29 US disclosed
WO-2022159439-A2 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. (US) 2022-07-28 WO disclosed
US-20220225647-A1 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. 2022-07-21 US disclosed
US-20220225646-A1 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. 2022-07-21 US disclosed
US-5902390-A Ink compositions containing ketones XEROX CORPORATION (US) 1999-05-11 US disclosed