Water

Water

SCHEMBL377289

O.O.O.O.O.[Cl-].[Cl-].[Ru+2].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1

nearest known ligand 0.50

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
FDPS known ✓ P14324 1/20 0.49
EGFR known ✓ P00533 1/20 0.45
PIK3CA known ✓ P42336 1/20 0.43
ADORA2A known ✓ P29274 1/20 0.41
ASIC3 Q9UHC3 1/20 0.50
NOTUM Q6P988 1/20 0.48
PLAU P00749 1/20 0.47
PIM1 P11309 1/20 0.44
SMO Q99835 2/20 0.43
TGFBR1 P36897 1/20 0.42
CYP19A1 P11511 1/20 0.42
USP30 Q70CQ3 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
ALDH1A1 P00352 1/20 0.41
AURKA O14965 1/20 0.41
HSP90AA1 P07900 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
SCHEMBL417290 0.95 ASIC3 (0.54) ASIC3FDPSNOTUMPLAUEGFR
Hydrochloric Acid SCHEMBL4868804 0.93 ASIC3 (0.52) ASIC3FDPSNOTUMPLAUEGFR
SCHEMBL2789829 0.93 ASIC3 (0.52) ASIC3FDPSNOTUMPLAUEGFR
Hydrochloric Acid SCHEMBL5171214 0.93 ASIC3 (0.52) ASIC3FDPSNOTUMPLAUEGFR
SCHEMBL4858632 0.93 ASIC3 (0.52) ASIC3FDPSNOTUMPLAUEGFR
Hydrochloric Acid SCHEMBL4868799 0.91 ASIC3 (0.50) ASIC3FDPSNOTUMPLAUEGFR
SCHEMBL912763 0.88 ASIC3 (0.63) ASIC3NOTUMPLAUPIM1SMO
SCHEMBL29578028 0.88 ASIC3 (0.63) ASIC3NOTUMPLAUPIM1SMO
Pyridine SCHEMBL25197533 0.87 NOTUM (0.56) ASIC3FDPSNOTUMPLAUEGFR
SCHEMBL3194223 0.87 CYP19A1 (0.53) ASIC3FDPSNOTUMPLAUEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150087944-A1 TECHNIQUES AND DEVICES ASSOCIATED WITH BLOOD SAMPLING SEVENTH SENSE BIOSYSTEMS, INC. (US) 2015-03-26 US disclosed
EP-2408369-A1 DEVICES AND METHODS FOR THE ANALYSIS OF AN EXTRACTABLE MEDIUM Seventh Sense Biosystems, Inc. (US) 2012-01-25 EP disclosed
EP-2408372-A1 TECHNIQUES AND DEVICES ASSOCIATED WITH BLOOD SAMPLING Seventh Sense Biosystems, Inc. (US) 2012-01-25 EP disclosed
US-20110288389-A9 OXYGEN SENSOR SEVENTH SENSE BIOSYSTEMS, INC. (US) 2011-11-24 US disclosed
WO-2011094573-A1 MONITORING OR FEEDBACK SYSTEMS AND METHODS SEVENTH SENSE BIOSYSTEMS, INC. (US) 2011-08-04 WO disclosed
US-20110181410-A1 MONITORING OR FEEDBACK SYSTEMS AND METHODS SEVENTH SENSE BIOSYSTEMS, INC. (US) 2011-07-28 US disclosed
EP-2329035-A2 Compositions and methods for rapid one-step diagnosis Seventh Sense Biosystems, Inc. (US) 2011-06-08 EP disclosed
WO-2011065972-A2 PATIENT-ENACTED SAMPLING TECHNIQUE SEVENTH SENSE BIOSYSTEMS, INC. (US) 2011-06-03 WO disclosed
US-20110125058-A1 PATIENT-ENACTED SAMPLING TECHNIQUE Seven Sense Biosystems, Inc. (US) 2011-05-26 US disclosed
US-20110105951-A1 SYSTEMS AND METHODS FOR TREATING, SANITIZING, AND/OR SHIELDING THE SKIN OR DEVICES APPLIED TO THE SKIN SEVENTH SENSE BIOSYSTEMS, INC. (US) 2011-05-05 US disclosed
US-20110105952-A1 RELATIVELY SMALL DEVICES APPLIED TO THE SKIN, MODULAR SYSTEMS, AND METHODS OF USE THEREOF SEVENTH SENSE BIOSYSTEMS, INC. (US) 2011-05-05 US disclosed
WO-2011053788-A2 RELATIVELY SMALL DEVICES APPLIED TO THE SKIN, MODULAR SYSTEMS, AND METHODS OF USE THEREOF SEVENTH SENSE BIOSYSTEMS, INC. (US) 2011-05-05 WO disclosed
WO-2011053787-A2 SYSTEMS AND METHODS FOR APPLICATION TO SKIN AND CONTROL OF ACTUATION, DELIVERY AND/OR PERCEPTION THEREOF SEVENTH SENSE BIOSYSTEMS, INC. (US) 2011-05-05 WO disclosed
US-20110105872-A1 SYSTEMS AND METHODS FOR APPLICATION TO SKIN AND CONTROL OF ACTUATION, DELIVERY, AND/OR PERCEPTION THEREOF SEVENTH SENSE BIOSYSTEMS, INC. (US) 2011-05-05 US disclosed
WO-2011053796-A2 SYSTEMS AND METHODS FOR TREATING, SANITIZING, AND/OR SHIELDING THE SKIN OR DEVICES APPLIED TO THE SKIN SEVENTH SENSE BIOSYSTEMS, INC. (US) 2011-05-05 WO disclosed
US-20110009847-A1 SYSTEMS AND METHODS FOR CREATING AND USING SUCTION BLISTERS OR OTHER POOLED REGIONS OF FLUID WITHIN THE SKIN SEVENTH SENSE BIOSYSTEMS, INC. (US) 2011-01-13 US disclosed