Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Toluene. 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 | |
|---|---|---|---|---|
| Toluene SCHEMBL28760923 | 0.96 | ACHE (0.92) | — | |
| Toluene SCHEMBL28796280 | 0.96 | ACHE (0.92) | — | |
| Toluene SCHEMBL15009 | 0.96 | — | — | |
| Toluene SCHEMBL6666244 | 0.96 | ACHE (0.92) | — | |
| Toluene SCHEMBL3319586 | 0.96 | ACHE (0.92) | — | |
| Toluene SCHEMBL628172 | 0.96 | — | — | |
| Toluene SCHEMBL525532 | 0.96 | — | — | |
| Toluene SCHEMBL16353981 | 0.96 | ACHE (0.92) | — | |
| Toluene SCHEMBL10383356 | 0.96 | ACHE (0.92) | — | |
| Toluene SCHEMBL8593368 | 0.96 | ACHE (0.92) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3089986-A1 | CRYSTALLINE SALTS OF (Z)-O-OCTADEC-9-EN-1-YL O,O-DIHYDROGEN PHOSPHOROTHIOATE | Rxbio Inc. (US) | 2016-11-09 | — | — | EP | disclosed |
| CN-105264016-A | Reinforcing agent for polycarbonate resin, polycarbonate resin composition, and molded article | MITSUBISHI CHEM CORP | 2016-01-20 | — | — | CN | disclosed |
| CN-102803291-B | There is the plant of the Correlated Yield Characters of enhancing and/or the abiotic stress tolerance of enhancing and prepare its method | BASF PLANT SCIENCE Co.,GmbH (DE) | 2015-11-25 | — | — | CN | disclosed |
| WO-2015102856-A1 | CRYSTALLINE SALTS OF (Z)-O-OCTADEC-9-EN-1-YL O,O-DIHYDROGEN PHOSPHOROTHIOATE | RXBIO INC. (US) | 2015-07-09 | — | — | WO | disclosed |
| CN-104610877-A | Titania-containing coating composition and coated article | SHINETSU CHEMICAL CO | 2015-05-13 | — | — | CN | disclosed |
| CN-104024219-A | Method for producing polyisocyanates, which are flocculation-stable in solvents, from (cyclo)aliphatic diisocyanates | BASF SE | 2014-09-03 | — | — | CN | disclosed |
| CN-101805501-B | Polycarbonate resin composition and method for producing the same | MITSUBISHI GAS CHEMICAL CO | 2013-08-28 | — | — | CN | disclosed |
| CN-101619169-B | Heat-curable silicone resin-epoxy resin composition, and premolded package molded from same | SHIN ETSU EHEMICAL CO LTD | 2013-03-06 | — | — | CN | disclosed |
| CN-102803291-A | Plants having enhanced yield-related traits and/or enhanced abiotic stress tolerance and a method for making the same | BASF PLANT SCIENCE CO GMBH | 2012-11-28 | — | — | CN | disclosed |
| CN-101490130-B | Polycarbonate resin and optical film using the same | MITSUBISHI GAS CHEMICAL CO | 2012-11-07 | — | — | CN | disclosed |
| EP-2427480-A1 | PLANTS HAVING ENHANCED YIELD-RELATED TRAITS AND/OR ENHANCED ABIOTIC STRESS TOLERANCE AND A METHOD FOR MAKING THE SAME | BASF Plant Science Company GmbH (DE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127969-A1 | PLANTS HAVING ENHANCED YIELD-RELATED TRAITS AND/OR ENHANCED ABIOTIC STRESS TOLERANCE AND A METHOD FOR MAKING THE SAME | BASF PLANT SCIENCE COMPANY GMBH (DE) | 2010-11-11 | — | — | WO | disclosed |
| CN-101805501-A | Poly carbonate resin composition and manufacture method thereof | MITSUBISHI GAS CHEMICAL CO | 2010-08-18 | — | — | CN | disclosed |
| CN-101619169-A | Heat-curable silicone resin-epoxy resin composition, and premolded package molded from same | SHINETSU CHEMICAL CO | 2010-01-06 | — | — | CN | disclosed |
| CN-101490130-A | Polycarbonate resin and optical film using the same | MITSUBISHI GAS CHEMICAL CO (JP) | 2009-07-22 | — | — | CN | disclosed |
| CN-101379054-A | Piperidine derivatives as CXCR3 receptor antagonists | JANSSEN PHARMACEUTICA NV (BE) | 2009-03-04 | — | — | CN | disclosed |
| CN-1899244-A | Agent for simultaneously bleaching and coloring of keratin fibres comprising an anionic or non-ionic dye and an inert organic liquid | OREAL (FR) | 2007-01-24 | — | — | CN | disclosed |
| EP-0119093-B1 | POLYMERIZATION OF POLYDIORGANOSILOXANE IN THE PRESENCE OF FILLER | DOW CORNING CORPORATION (US) | 1990-10-31 | — | — | EP | disclosed |
| EP-0119093-A2 | Polymerization of polydiorganosiloxane in the presence of filler | DOW CORNING CORPORATION (US) | 1984-09-19 | — | — | EP | disclosed |
| US-4433096-A | Polymerization of polydiorganosiloxane in the presence of filler | DOW CORNING CORPORATION (US) | 1984-02-21 | — | — | US | disclosed |