Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Acetonitrile. 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL59423 | 0.91 | — | — | |
| Acetonitrile SCHEMBL31357011 | 0.91 | — | — | |
| Acetonitrile SCHEMBL3701719 | 0.70 | — | — | |
| Acetonitrile SCHEMBL1594871 | 0.70 | — | — | |
| Acetonitrile SCHEMBL27893094 | 0.68 | — | — | |
| Acetonitrile SCHEMBL28602021 | 0.68 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL30662445 | 0.67 | — | — | |
| Acetonitrile SCHEMBL30662442 | 0.67 | — | — | |
| Acetonitrile SCHEMBL27901694 | 0.64 | — | — | |
| Acetonitrile SCHEMBL28310974 | 0.64 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170073452-A1 | POLYGLYOXYLATES, MANUFACTURE AND USE THEREOF | THE UNIVERSITY OF WESTERN ONTARIO (CA) | 2017-03-16 | — | — | US | disclosed |
| EP-2872527-B1 | NOVEL LANTIPEPTIDE | NAICONS SRL (IT) | 2016-11-30 | — | — | EP | disclosed |
| US-20150291670-A1 | NOVEL LANTIPEPTIDE | NAICONS S.C.A.R.L. | 2015-10-15 | — | — | US | disclosed |
| US-7495099-B2 | High-molecular weight derivatives of camptothecins | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2009-02-24 | — | — | US | disclosed |
| US-20060067910-A1 | High-molecular weight derivatives of camptothecins | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2006-03-30 | — | — | US | disclosed |
| US-20050142649-A1 | Covalently reactive transition state analogs and methods of use thereof | PAUL, SUDHIR, DR. | 2005-06-30 | — | — | US | disclosed |
| US-20030078203-A1 | Covalently reactive transition state analogs and methods of use thereof | PAUL, SUDHIR, DR. | 2003-04-24 | — | — | US | disclosed |