Water

Water

SCHEMBL335807

O.O.O=C(O)c1nccnc1C(=O)O

nearest known ligand 0.52

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
ADORA3 known ✓ P0DMS8 1/20 0.37
ADRA1A known ✓ P35348 1/20 0.37
KDM4E B2RXH2 9/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
TSHR P16473 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
ALOX15 P16050 2/20 0.52
CYP3A4 P08684 1/20 0.52
BLM P54132 1/20 0.52
AGER Q15109 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ASPH Q12797 1/20 0.48
KDM8 Q8N371 1/20 0.48
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 2/20 0.44
ATM Q13315 1/20 0.44
NAPRT Q6XQN6 3/20 0.44
HCAR2 Q8TDS4 1/20 0.44
MYC P01106 1/20 0.41

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
SCHEMBL69939 0.97 KDM4E (0.54) KDM4EMAPTALDH1A1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL9356765 0.94 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL28058447 0.94 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL9356773 0.94 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL27875395 0.94 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL6345905 0.94 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL29113117 0.94 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
Iodide SCHEMBL28827358 0.91 KDM4E (0.52) KDM4EMAPTALDH1A1TSHRL3MBTL1
Formic Acid SCHEMBL27879436 0.86 KDM4E (0.46) KDM4EMAPTALDH1A1TSHRL3MBTL1
SCHEMBL9630721 0.86 KDM4E (0.48) KDM4EMAPTALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-2239601-B1 LIGHT CONTROL FILM COMPRISING A PRIMER LAYER FORMED BY USING A PHOSPHORIC ESTER HITACHI CHEMICAL CO LTD (JP) 2017-11-08 EP disclosed
EP-2103990-B1 LIGHT CONTROL FILM AND LIGHT CONTROL GLASS HITACHI CHEMICAL CO LTD (JP) 2017-08-16 EP disclosed
US-9638979-B2 Light control film HITACHI CHEMICAL COMPANY, LTD. (JP) 2017-05-02 US disclosed
EP-2530518-B1 LIGHT-DIFFUSING FILM HITACHI CHEMICAL CO LTD (JP) 2015-08-19 EP disclosed
EP-2251739-B1 PROCESS FOR PRODUCING LIGHT-MODULATING FILM AND LIGHT-MODULATING FILM HITACHI CHEMICAL CO LTD (JP) 2015-05-06 EP disclosed
US-20110013260-A1 METHOD FOR PRODUCING LIGHT-MODULATING FILM AND LIGHT-MODULATING FILM GAUZY LTD (IL) 2011-01-20 US disclosed
US-20100309544-A1 LIGHT CONTROL FILM GAUZY LTD (IL) 2010-12-09 US disclosed
EP-2251739-A1 PROCESS FOR PRODUCING LIGHT-MODULATING FILM AND LIGHT-MODULATING FILM Hitachi Chemical Company, Ltd. (JP) 2010-11-17 EP disclosed
EP-2239601-A1 LIGHT CONTROL FILM Hitachi Chemical Company, Ltd. (JP) 2010-10-13 EP disclosed
US-20100047593-A1 Light Control Film GAUZY LTD (IL) 2010-02-25 US disclosed
US-20100014150-A1 Light Control Film and Light Control Glass GAUZY LTD (IL) 2010-01-21 US disclosed
US-20090316254-A1 Light Control Film and Light Control Glass HITACHI CHEMICAL CO., LTD. (JP) 2009-12-24 US disclosed
EP-2124097-A1 LIGHT CONTROL FILM AND LIGHT CONTROL GLASS Hitachi Chemical Company, Ltd. (JP) 2009-11-25 EP disclosed
EP-2103991-A1 LIGHT CONTROL FILM Hitachi Chemical Company, Ltd. (JP) 2009-09-23 EP disclosed
EP-2103990-A1 LIGHT CONTROL FILM AND LIGHT CONTROL GLASS Hitachi Chemical Company, Ltd. (JP) 2009-09-23 EP disclosed