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 | |
|---|---|---|---|---|
| SCHEMBL454817 | 0.97 | — | — | |
| SCHEMBL9551531 | 0.94 | — | — | |
| SCHEMBL10936422 | 0.94 | — | — | |
| SCHEMBL11243568 | 0.94 | — | — | |
| SCHEMBL5189838 | 0.94 | — | — | |
| Lactic Acid SCHEMBL2123498 | 0.89 | TP53 (0.58) | — | |
| Sulfuric Acid SCHEMBL1584319 | 0.87 | TP53 (0.35) | — | |
| Water SCHEMBL736548 | 0.79 | — | — | |
| SCHEMBL157628 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL6227396 | 0.73 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2025318-B1 | Two-phase composition for conditioning hair | KAO GERMANY GMBH (DE) | 2018-07-25 | — | — | EP | disclosed |
| US-8715633-B2 | Composition for keratin fibres | KAO GERMANY GMBH (DE) | 2014-05-06 | — | — | US | disclosed |
| EP-1911435-B1 | Two-phase composition for improving curl retention | KAO GERMANY GMBH (DE) | 2013-07-24 | — | — | EP | disclosed |
| US-20120103357-A1 | COMPOSITION FOR KERATIN FIBRES | KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) | 2012-05-03 | — | — | US | disclosed |
| US-20110192413-A1 | Two-Phase Composition for Improving Curl Retention | KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) | 2011-08-11 | — | — | US | disclosed |
| EP-1927335-B1 | Two-phase conditioning composition | KPSS KAO GMBH (DE) | 2009-10-21 | — | — | EP | disclosed |
| US-20090098077-A1 | Two-Phase Composition for Improving Curl Retention | KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) | 2009-04-16 | — | — | US | disclosed |
| EP-2036534-A1 | Multi phase composition for conditioning hair | KPSS-Kao Professional Salon Services GmbH (DE) | 2009-03-18 | — | — | EP | disclosed |
| EP-2025318-A2 | Two-phase composition for conditioning hair | KPSS-Kao Professional Salon Services GmbH (DE) | 2009-02-18 | — | — | EP | disclosed |
| EP-2025317-A1 | Two or multi phase composition for conditioning hair | KPSS-Kao Professional Salon Services GmbH (DE) | 2009-02-18 | — | — | EP | disclosed |
| EP-2022465-A1 | Multi-phase composition for conditioning hair | KPSS-Kao Professional Salon Services GmbH (DE) | 2009-02-11 | — | — | EP | disclosed |
| EP-2022466-A1 | Two or multi phase composition for conditioning hair | KPSS-Kao Professional Salon Services GmbH (DE) | 2009-02-11 | — | — | EP | disclosed |
| EP-2022467-A1 | Two-phase composition for conditioning hair | KPSS-Kao Professional Salon Services GmbH (DE) | 2009-02-11 | — | — | EP | disclosed |
| EP-1927335-A1 | Two-phase conditioning composition | KPSS-Kao Professional Salon Services GmbH (DE) | 2008-06-04 | — | — | EP | disclosed |
| US-20080124293-A1 | COMPOSITION FOR KERATIN FIBRES | KPSS-KAO PROFESSIONAL SALON SERVICES GMBH (DE) | 2008-05-29 | — | — | US | disclosed |
| EP-1925280-A1 | Two-phase conditioning composition | KPSS-Kao Professional Salon Services GmbH (DE) | 2008-05-28 | — | — | EP | disclosed |
| EP-1911435-A1 | Two-phase composition for improving curl retention | KPSS-Kao Professional Salon Services GmbH (DE) | 2008-04-16 | — | — | EP | disclosed |
| US-20050042268-A1 | Pharmaceutical composition and method for transdermal drug delivery | PERRIGO ISRAEL PHARMACEUTICALS LTD. (IL) | 2005-02-24 | — | — | US | disclosed |
| EP-1501878-A1 | PROCESS FOR CHAIN STOPPING OF PVC POLYMERIZATION | Ciba SC Holding AG (CH) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003093330-A1 | PROCESS FOR CHAIN STOPPING OF PVC POLYMERIZATION | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2003-11-13 | — | — | WO | disclosed |