Water

Water

SCHEMBL336347

O.O.O=C(O)c1cnc(C(=O)O)cn1

nearest known ligand 0.56

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
KDM4E B2RXH2 8/20 0.56
HCAR2 Q8TDS4 2/20 0.56
NAPRT Q6XQN6 2/20 0.56
P4HTM Q9NXG6 5/20 0.54
P4HA1 P13674 1/20 0.54
MIF P14174 1/20 0.54
ALDH1A1 P00352 3/20 0.52
ALOX15 P16050 3/20 0.48
ASPH Q12797 3/20 0.48
KDM8 Q8N371 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIRT6 Q8N6T7 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ACMSD Q8TDX5 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 2/20 0.42

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 SCHEMBL28665454 1.00 KDM4E (0.56) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL70035 0.97 KDM4E (0.59) KDM4EHCAR2NAPRTP4HTMP4HA1
Water SCHEMBL6129699 0.94 KDM4E (0.52) KDM4EHCAR2NAPRTP4HTMP4HA1
Iodide SCHEMBL6129698 0.94 KDM4E (0.52) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL7767700 0.94 KDM4E (0.56) KDM4EHCAR2NAPRTP4HTMP4HA1
Hydrochloric Acid SCHEMBL11594387 0.94 KDM4E (0.56) KDM4EHCAR2NAPRTP4HTMP4HA1
Iodide SCHEMBL7459681 0.91 KDM4E (0.54) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL17712841 0.86 SIRT6 (0.64) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL17725120 0.84 KDM4E (0.48) KDM4EHCAR2NAPRTP4HTMP4HA1
SCHEMBL241781 0.84 KDM4E (0.48) KDM4EHCAR2NAPRTP4HTMP4HA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116496501-B Liquid polysiloxane with lactam group and light valve 浙江精一新材料科技有限公司 2024-03-29 CN disclosed
EP-3885825-B1 INORGANIC-ORGANIC HYBRID CORE-SHELL NANOROD AND LIGHT VALVE HAVING THE NANOROD ZHEJIANG JINGYI NEW MATERIAL TECH CO LTD (CN) 2024-03-13 EP disclosed
US-11248168-B2 Inorganic-organic hybrid core-shell nanorod and light valve having the nanorod ZHEJIANG JINGYI NEW MATERIAL TECHNOLOGY CO. LTD (CN) 2022-02-15 US disclosed
EP-2322986-B1 LIGHT-MODULATING FILM HITACHI CHEMICAL CO LTD (JP) 2019-06-26 EP disclosed
US-10288976-B2 Light control film HITACHI CHEMICAL COMPANY, LTD. (JP) 2019-05-14 US disclosed
CN-109491174-A A kind of inorganic-organic hybridization core-shell type nano stick and the light valve with the nanometer rods 浙江精新材料科技有限公司 2019-03-19 CN disclosed
US-10175551-B2 Light control film HITACHI CHEMICAL COMPANY, LTD. (JP) 2019-01-08 US disclosed
US-10156767-B2 Light control film HITACHI CHEMICAL COMPANY, LTD. (JP) 2018-12-18 US disclosed
US-9983456-B2 Light control film HITACHI CHEMICAL COMPANY, LTD. (JP) 2018-05-29 US disclosed
EP-2005236-B1 SPD LIGHT VALVES INCORPORATING FILMS COMPRISING IMPROVED MATRIX POLYMERS AND METHODS FOR MAKING SUCH MATRIX POLYMERS RESEARCH FRONTIERS INC (US) 2018-02-07 EP disclosed
EP-1105775-A1 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INCORPORATED (US) 2001-06-13 EP disclosed
EP-1056974-A4 LIGHT POLARIZING MATERIALS, LIQUID SUSPENSIONS AND FILMS THEREOF, AND LIGHT VALVES INCORPORATING SAME RESEARCH FRONTIERS INC (US) 2001-05-02 EP disclosed
EP-1056974-A1 LIGHT POLARIZING MATERIALS, LIQUID SUSPENSIONS AND FILMS THEREOF, AND LIGHT VALVES INCORPORATING SAME RESEARCH FRONTIERS INCORPORATED (US) 2000-12-06 EP disclosed
US-6156239-A Light polarizing materials, liquid suspensions and films thereof, and light valves incorporating same RESEARCH FRONTIERS INCORPORATED (US) 2000-12-05 US disclosed
WO-2000003177-A1 LIGHT-POLARIZING PARTICLES OF IMPROVED PARTICLE SIZE DISTRIBUTION RESEARCH FRONTIERS INCORPORATED (US) 2000-01-20 WO disclosed
WO-2000003178-A1 POLYHALIDE PARTICLES AND LIGHT VALVES COMPRISING SAME RESEARCH FRONTIERS INCORPORATED (US) 2000-01-20 WO disclosed
WO-1999043983-A9 LIGHT POLARIZING MATERIALS, LIQUID SUSPENSIONS AND FILMS THEREOF, AND LIGHT VALVES INCORPORATING SAME RESEARCH FRONTIERS INC (US) 1999-11-11 WO disclosed
WO-1999043983-A1 LIGHT POLARIZING MATERIALS, LIQUID SUSPENSIONS AND FILMS THEREOF, AND LIGHT VALVES INCORPORATING SAME RESEARCH FRONTIERS INCORPORATED (US) 1999-09-02 WO disclosed
US-5516463-A Method of making light-polarizing particles RESEARCH FRONTIERS INCORPORATED (US) 1996-05-14 US disclosed
EP-0635734-A2 Method of making light-polarizing particles RESEARCH FRONTIERS INCORPORATED (US) 1995-01-25 EP disclosed