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 | |
|---|---|---|---|---|
| SCHEMBL6751047 | 0.94 | — | — | |
| SCHEMBL301246 | 0.94 | — | — | |
| SCHEMBL28045378 | 0.94 | — | — | |
| Water SCHEMBL10578103 | 0.94 | — | — | |
| Water SCHEMBL10341360 | 0.94 | — | — | |
| SCHEMBL4070883 | 0.89 | — | — | |
| SCHEMBL4070880 | 0.89 | — | — | |
| SCHEMBL3973715 | 0.89 | — | — | |
| Hydrogen Peroxide SCHEMBL7011640 | 0.89 | — | — | |
| SCHEMBL3973719 | 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1331464-C | Aloe powder with high active matter content and its production process | ZOU JIPING (CN) | 2007-08-15 | — | — | CN | claimed |
| CN-1416809-A | Aloe powder with high active matter content and its production process | ZOU JIPING (CN) | 2003-05-14 | — | — | CN | claimed |
| US-7494721-B2 | Light-emitting device, condensed polycyclic compound used therein and method for producing same | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2009-02-24 | — | — | US | disclosed |
| CN-1331464-C | Aloe powder with high active matter content and its production process | ZOU JIPING (CN) | 2007-08-15 | — | — | CN | disclosed |
| US-20060051612-A1 | Light-emitting device, condensed polycyclic compound used therein and method for producing same | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2006-03-09 | — | — | US | disclosed |
| EP-1589089-A1 | LIGHT-EMITTING DEVICE, CONDENSED POLYCYCLIC COMPOUND USED THEREIN AND METHOD FOR PRODUCING SAME | Nippon Kayaku Kabushiki Kaisha (JP) | 2005-10-26 | — | — | EP | disclosed |
| WO-2004106633-A1 | PROCESS FOR PREPARING A MOULDED PULP PACKAGING MATERIAL | HUHTAMAKI MOLDED FIBER TECHNOLOGY B.V. (NL) | 2004-12-09 | — | — | WO | disclosed |
| CN-1416809-A | Aloe powder with high active matter content and its production process | ZOU JIPING (CN) | 2003-05-14 | — | — | CN | disclosed |
| WO-2001065570-A2 | TREATMENT FOR WASTE CONTAINING TECHNETIUM | BRITISH NUCLEAR FUELS PLC (GB) | 2001-09-07 | — | — | WO | disclosed |
| EP-0837839-A4 | 9-SUBSTITUTED PORPHYCENES | CYTOPHARM INC (US) | 2000-10-04 | — | — | EP | disclosed |
| EP-0819107-A4 | 9-SUBSTITUTED PORPHYCENES | CYTOPHARM INC (US) | 2000-09-13 | — | — | EP | disclosed |
| US-5637608-A | PHOTODYNAMIC THERAPY | CYTOPHARM, INC. (US) | 1997-06-10 | — | — | US | disclosed |
| US-5610175-A | 9-Substituted porphycenes | CYTOPHARM, INC. (US) | 1997-03-11 | — | — | US | disclosed |
| WO-1996031451-A1 | 9-SUBSTITUTED PORPHYCENES | CYTOPHARM, INC. (US) | 1996-10-10 | — | — | WO | disclosed |
| WO-1996031452-A1 | 9-SUBSTITUTED PORPHYCENES | CYTOPHARM, INC. (US) | 1996-10-10 | — | — | WO | disclosed |
| US-RE33908-E | Mixtures of blue mono-azo disperse dyestuffs and their use for dyeing polyester | CASSELLA AKTIENGESELLSCHAFT (DE) | 1992-05-05 | — | — | US | disclosed |
| US-4985044-A | Multi-component mixtures of blue disperse azo dyes for the dyeing of synthetic fibers | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-01-15 | — | — | US | disclosed |
| US-4689050-A | Mixtures of blue disperse azo dyestuffs for dyeing synthetic fibers | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-08-25 | — | — | US | disclosed |
| US-4678476-A | HIGH TINCTORIAL STRENGTH, COLORFASTNESS | CASSELLA AKTIENGESELLSCHAFT (DE) | 1987-07-07 | — | — | US | disclosed |
| US-4242091-A | Process for the continuous dyeing of textile webs pre-heated with infra-red or micro-waves | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-12-30 | — | — | US | disclosed |