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.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Water SCHEMBL1536022 | 1.00 | — | — | |
| Water SCHEMBL6335576 | 1.00 | — | — | |
| Water SCHEMBL36087 | 1.00 | — | — | |
| Water SCHEMBL2399519 | 1.00 | — | — | |
| Water SCHEMBL7458506 | 1.00 | — | — | |
| Water SCHEMBL8669522 | 1.00 | — | — | |
| Water SCHEMBL284821 | 1.00 | — | — | |
| Methane SCHEMBL23458654 | 0.82 | — | — | |
| Water SCHEMBL20574803 | 0.82 | — | — | |
| Water SCHEMBL21834038 | 0.82 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103782153-A | Methods and devices for the detection of biofilms | UNIV OHIO STATE | 2014-05-07 | — | — | CN | claimed |
| US-20140048424-A1 | METHODS AND DEVICES FOR THE DETECTION OF BIOFILMS | OHIO UNIVERSITY (US) | 2014-02-20 | — | — | US | claimed |
| WO-2012149487-A1 | METHODS AND DEVICES FOR THE DETECTION OF BIOFILMS | OHIO UNIVERSITY (US) | 2012-11-01 | — | — | WO | claimed |
| CN-105916678-B | Design and assembling and its dentistry and the biologic medical implantation material application of the tantalum perforated membrane of oxidation are classified made of the nano particle of selected size | 学校法人冲绳科学技术大学院大学学园 | 2018-08-17 | — | — | CN | disclosed |
| US-10022566-B2 | Apparatus, systems, and methods for current monitoring in ultrasound powered neurostimulation | ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2018-07-17 | — | — | US | disclosed |
| CN-105916678-A | DESIGN AND ASSEMBLY OF GRADED-OXIDE TANTALUM POROUS FILMS FROM SIZE-SELECTED NANOPARTICLES AND DENTAL AND BIOMEDICAL IMPLANT APPLICATION THEREOF | 学校法人冲绳科学技术大学院大学学园 | 2016-08-31 | — | — | CN | disclosed |
| CN-103782153-A | Methods and devices for the detection of biofilms | UNIV OHIO STATE | 2014-05-07 | — | — | CN | disclosed |
| US-20140048424-A1 | METHODS AND DEVICES FOR THE DETECTION OF BIOFILMS | OHIO UNIVERSITY (US) | 2014-02-20 | — | — | US | disclosed |
| US-20130324891-A1 | APPARATUS, SYSTEMS, AND METHODS FOR CURRENT MONITORING IN ULTRASOUND POWERED NEUROSTIMULATION | ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2013-12-05 | — | — | US | disclosed |
| WO-2012149487-A1 | METHODS AND DEVICES FOR THE DETECTION OF BIOFILMS | OHIO UNIVERSITY (US) | 2012-11-01 | — | — | WO | disclosed |
| WO-2012030962-A2 | APPARATUS, SYSTEMS, AND METHODS FOR CURRENT MONITORING IN ULTRASOUND POWERED NEUROSTIMULATION | ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |
| US-7381631-B2 | Use of expanding material oxides for nano-fabrication | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2008-06-03 | — | — | US | disclosed |
| US-7381658-B2 | Encapsulation of nano-dimensional structures by oxidation | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2008-06-03 | — | — | US | disclosed |
| EP-1910215-A1 | ENCAPSULATION OF NANO-DIMENSIONAL STRUCTURES BY OXIDATION | Hewlett-Packard Development Company, L.P. (US) | 2008-04-16 | — | — | EP | disclosed |
| EP-1907315-A1 | USE OF EXPANDING MATERIAL OXIDES FOR NANO-FABRICATION | Hewlett-Packard Development Company, L.P. (US) | 2008-04-09 | — | — | EP | disclosed |
| WO-2007005266-A1 | ENCAPSULATION OF NANO-DIMENSIONAL STRUCTURES BY OXIDATION | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2007-01-11 | — | — | WO | disclosed |
| WO-2007005264-A1 | USE OF EXPANDING MATERIAL OXIDES FOR NANO-FABRICATION | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) | 2007-01-11 | — | — | WO | disclosed |
| US-20070007518-A1 | Encapsulation of nano-dimensional structures by oxidation | HEWLETT PACKARD ENTERPRISE DEVELOPMENT LP | 2007-01-11 | — | — | US | disclosed |
| US-20070010101-A1 | Use of expanding material oxides for nano-fabrication | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2007-01-11 | — | — | US | disclosed |