Water

Water

SCHEMBL1765013

C=C(C)C(=O)OCCOC(=O)C(=C)C.O

nearest known ligand 0.71

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 20)

geneUniProtsupporting neighboursconfidence
THRB known ✓ P10828 1/20 0.71
CHRM5 known ✓ P08912 2/20 0.36
CHRM1 known ✓ P11229 2/20 0.36
CHRM3 known ✓ P20309 2/20 0.36
CHRM2 known ✓ P08172 1/20 0.32
CHRM4 known ✓ P08173 1/20 0.32
HTR1A known ✓ P08908 1/20 0.32
TSHR P16473 6/20 0.61
ALDH1A1 P00352 7/20 0.50
TDP1 Q9NUW8 3/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL15636 0.97 THRB (0.74) THRBTSHRALDH1A1TDP1POLB
SCHEMBL6142874 0.97 THRB (0.74) THRBTSHRALDH1A1TDP1POLB
Ethylene SCHEMBL9301341 0.94 THRB (0.71) THRBTSHRALDH1A1TDP1POLB
Ethylene SCHEMBL9485953 0.94 THRB (0.71) THRBTSHRALDH1A1TDP1POLB
Formaldehyde SCHEMBL10432559 0.94 THRB (0.71) THRBTSHRALDH1A1TDP1POLB
Ethylene SCHEMBL8506065 0.94 THRB (0.71) THRBTSHRALDH1A1TDP1POLB
Ethylene SCHEMBL619217 0.94 THRB (0.71) THRBTSHRALDH1A1TDP1POLB
Ethylene SCHEMBL632736 0.94 THRB (0.71) THRBTSHRALDH1A1TDP1POLB
SCHEMBL3286289 0.94 THRB (0.71) THRBTSHRALDH1A1TDP1POLB
Ethylene SCHEMBL955493 0.94 THRB (0.71) THRBTSHRALDH1A1TDP1POLB

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12078961-B2 Toner, method of manufacturing toner, toner storage unit, image forming apparatus and method of forming image RICOH COMPANY, LTD. (JP) 2024-09-03 US disclosed
US-20220057726-A1 TONER, METHOD OF MANUFACTURING TONER, TONER STORAGE UNIT, IMAGE FORMING APPARATUS AND METHOD OF FORMING IMAGE RICOH COMPANY, LTD. (JP) 2022-02-24 US disclosed
EP-1645917-B1 Process cartridge, image forming method, and image forming apparatus on a photosensitive drum with a metallic coating RICOH CO LTD (JP) 2016-11-30 EP disclosed
US-8482839-B2 Electrochromic optical lens HYDRO-QUEBEC (CA) 2013-07-09 US disclosed
US-20110122476-A1 ELECTROCHROMIC OPTICAL LENS ESSILOR INTERNATIONAL (FR) 2011-05-26 US disclosed
US-7482104-B2 Toner, developer, toner container and latent electrostatic image carrier, and process cartridge, image forming method, and image forming apparatus using the same RICOH COMPANY, LTD. (JP) 2009-01-27 US disclosed
US-20080193865-A1 TONER, DEVELOPER, TONER CONTAINER AND LATENT ELECTROSTATIC IMAGE CARRIER, AND PROCESS CARTRIDGE, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS USING THE SAME KONDO MAIKO 2008-08-14 US disclosed
US-7386256-B2 Toner, developer, toner container and latent electrostatic image carrier, and process cartridge, image forming method, and image forming apparatus using the same RICOH COMPANY, LTD. (JP) 2008-06-10 US disclosed
US-7274898-B2 Process cartridge, image forming method, and image forming apparatus RICOH COMPANY, LTD. (JP) 2007-09-25 US disclosed
EP-1645917-A2 Process cartridge, image forming method, and image forming apparatus on a photosensitive drum with a metallic coating Ricoh Company, Ltd. (JP) 2006-04-12 EP disclosed
US-20060062595-A1 Process cartridge, image forming method, and image forming apparatus RICOH COMPANY, LTD. (JP) 2006-03-23 US disclosed
US-20050158644-A1 Toner, developer, toner container and latent electrostatic image carrier, and process cartridge, image forming method, and image forming apparatus using the same RICOH COMPANY, LTD. (JP) 2005-07-21 US disclosed