Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Benzonitrile. 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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL27793280 | 1.00 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL9464940 | 1.00 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL30929383 | 1.00 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL27363057 | 1.00 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL6640 | 1.00 | — | — | |
| Benzonitrile SCHEMBL2153738 | 1.00 | TSHR (1.00) | — | |
| Benzonitrile SCHEMBL11044747 | 1.00 | — | — | |
| Benzonitrile SCHEMBL25253064 | 0.97 | TSHR (0.93) | — | |
| Benzonitrile SCHEMBL11774035 | 0.97 | — | — | |
| Benzonitrile SCHEMBL11740588 | 0.97 | TSHR (0.93) | — |
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 353 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110520426-A | Crystals of a pyrane-bipyridine compound | EISAI R&D MAN CO LTD | 2019-11-29 | — | — | CN | claimed |
| CN-110483411-A | The preparation method of Fluoxastrobin based compound | BEIJING NUTRICHEM CO LTD | 2019-11-22 | — | — | CN | claimed |
| CN-110294716-A | A kind of preparation method of Fluoxastrobin and its intermediate | 帕潘纳(北京)科技有限公司 | 2019-10-01 | — | — | CN | claimed |
| CN-106558731-B | A kind of lithium-ion battery electrolytes and lithium ion battery | 比亚迪股份有限公司 | 2019-05-17 | — | — | CN | claimed |
| CN-109280037-A | 3- cyano benzene oxyalkyl aryl piperazine derivative and application in medicine preparation | 江苏恩华药业股份有限公司 | 2019-01-29 | — | — | CN | claimed |
| CN-109071444-A | N- (cyanobenzyl) -6- (cyclopropyl-carbonylamino) -4- (phenyl) -pyridine-2-carboxamide derivatives and related compounds as pesticides and plant protection agents | 拜耳作物科学股份公司 | 2018-12-21 | — | — | CN | claimed |
| CN-108704587-A | A kind of preparation method for the magnetic microsphere that monodisperse is amido modified | 苏州知益微球科技有限公司 | 2018-10-26 | — | — | CN | claimed |
| CN-104277458-B | A kind of high-adhesiveness low linear expansion coefficient polyimide film material and preparation method thereof | 吉林大学 | 2017-11-07 | — | — | CN | claimed |
| CN-107011326-A | Fungicidal pyrazoles compound | 纳幕尔杜邦公司 | 2017-08-04 | — | — | CN | claimed |
| CN-106565739-A | Novel gambogic acid class derivative and preparation method and application thereof | 广州医科大学 | 2017-04-19 | — | — | CN | claimed |
| CN-1745080-A | 1,3-dihydroimidazole fused-ring compound | EISAI CO LTD (JP) | 2006-03-08 | — | — | CN | claimed |
| CN-1564814-A | Triazine compound, polymer containing triazine structural unit, and method for producing same | GEN ELECTRIC (US) | 2005-01-12 | — | — | CN | claimed |
| CN-1555375-A | compounds that inhibit inflammatory cytokine release | — | 2004-12-15 | — | — | CN | claimed |
| CN-1511144-A | Process for preparation of azoxystrobin and analogues thereof | — | 2004-07-07 | — | — | CN | claimed |
| CN-1489588-A | Thiazolyl-oxazolyl-pyrrolyl-and imidazolyl-acid amide derivatives useful as inbibitors of PDE 4 isozymes | �Ʒ� | 2004-04-14 | — | — | CN | claimed |
| CN-1390196-A | Novel derivatives of dicarboxylic acid having pharmaceutical properties | BAYER AG (DE) | 2003-01-08 | — | — | CN | claimed |
| CN-1329607-A | Substituted benzopyran analogs for the treatment of inflammation | SEARLE & CO (US) | 2002-01-02 | — | — | CN | claimed |
| CN-1321695-A | Poly(hydroxy alkanoate), its preparation method and use of microbe in its preparation | CANON KK (JP) | 2001-11-14 | — | — | CN | claimed |
| CN-1139671-A | 4-alkylsulfur pyrimidine-5-acetous derivant | SANDOZ LTD (CH) | 1997-01-08 | — | — | CN | claimed |
| CN-1056879-A | Pyrrole derivative and preparation method thereof | ICI PLC (GB) | 1991-12-11 | — | — | CN | claimed |