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 | |
|---|---|---|---|---|
| SCHEMBL4747 | 0.94 | — | — | |
| SCHEMBL27769266 | 0.94 | ALDH1A1 (0.31) | — | |
| SCHEMBL11175001 | 0.94 | ALDH1A1 (0.31) | — | |
| SCHEMBL14831387 | 0.89 | — | — | |
| Ethane SCHEMBL2712387 | 0.89 | — | — | |
| Bromide SCHEMBL5506969 | 0.89 | — | — | |
| SCHEMBL20337013 | 0.89 | — | — | |
| SCHEMBL7770028 | 0.89 | — | — | |
| SCHEMBL6867144 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL29013574 | 0.89 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109972168-A | Multiple sunken light nanometer titanium dioxide Ti electrode and its preparation method and application | 厦门大学 | 2019-07-05 | — | — | CN | disclosed |
| US-9893228-B2 | Method for manufacturing compound semiconductor solar cell | KANEKA CORPORATION (JP) | 2018-02-13 | — | — | US | disclosed |
| US-20170110620-A1 | METHOD FOR MANUFACTURING COMPOUND SEMICONDUCTOR SOLAR CELL | KANEKA CORPORATION (JP) | 2017-04-20 | — | — | US | disclosed |
| EP-3125308-A1 | METHOD FOR MANUFACTURING COMPOUND SEMICONDUCTOR SOLAR CELL | Kaneka Corporation (JP) | 2017-02-01 | — | — | EP | disclosed |
| US-9062155-B2 | Organometallic catalyst and preparation thereof | UNIVERSITY OF SYDNEY (AU) | 2015-06-23 | — | — | US | disclosed |
| US-20130331544-A1 | ORGANOMETALLIC CATALYST AND PREPARATION THEREOF | THE UNIVERSITY OF SYDNEY (AU) | 2013-12-12 | — | — | US | disclosed |
| US-8507708-B2 | Organometallic catalyst and preparation thereof | THE UNIVERSITY OF SYDNEY (AU) | 2013-08-13 | — | — | US | disclosed |
| US-20110319645-A1 | ORGANOMETALLIC CATALYST AND PREPARATION THEREOF | UNIVERSITY OF SYDNEY (AU) | 2011-12-29 | — | — | US | disclosed |
| WO-2010069000-A1 | ORGANOMETALLIC CATALYST AND PREPARATION THEREOF | THE UNIVERSITY OF SYDNEY (AU) | 2010-06-24 | — | — | WO | disclosed |
| US-3953383-A | REACTION PRODUCT OF ORGANOMETALLIC AND S OR ACTIVE HYDROGEN COMPOUND | NIPPON OIL SEAL INDUSTRY CO., LTD. (JA) | 1976-04-27 | — | — | US | disclosed |