Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-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 SCHEMBL14698205 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL28516249 | 1.00 | — | — | |
| Acetonitrile SCHEMBL6487601 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL16267560 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL9936942 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL4448760 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL15092908 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL16267901 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL15092655 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL89046 | 1.00 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120231477-A1 | Blood Biomarkers for Bone Fracture and Cartilage Injury | GENERA INSTRAZIVANJA d.o.o. (HR) | 2012-09-13 | — | — | US | disclosed |
| US-8263072-B2 | ADAMTS4 as a blood biomarker and therapeutic target for chronic renal failure | Genera Istrazivanja, d.o.o. (HR) | 2012-09-11 | — | — | US | disclosed |
| EP-2455755-A2 | Proteaoglycan-4 as marker for chronic renal failure | GENERA ISTRAZIVANJA d.o.o. (HR) | 2012-05-23 | — | — | EP | disclosed |
| US-8182998-B2 | Blood biomarkers for bone fracture and cartilage injury | GENERA ISTRAZIVANJA D.O.O. (HR) | 2012-05-22 | — | — | US | disclosed |
| EP-2171450-B1 | ADAMTS4 AS A BLOOD BIOMARKER AND THERAPEUTIC TARGET FOR CHRONIC RENAL FAILURE | GENERA ISTRAZIVANJA D O O (HR) | 2012-03-21 | — | — | EP | disclosed |
| EP-2421836-A1 | 2-ARYL IMIDAZOLINE DERIVATIVES | MSD K.K. (JP) | 2012-02-29 | — | — | EP | disclosed |
| US-20120029041-A1 | 2-ARYL IMIDAZOLINE DERIVATIVES | MSD K.K. (JP) | 2012-02-02 | — | — | US | disclosed |
| WO-2010123150-A1 | 2-ARYL IMIDAZOLINE DERIVATIVES | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-10-28 | — | — | WO | disclosed |
| US-20100273199-A1 | Methods and Compositions | KING'S COLLEGE LONDON (GB) | 2010-10-28 | — | — | US | disclosed |
| US-20100254997-A1 | ADAMTS4 as a blood biomarker and therapeutic target for chronic renal failure | GENERA ISTRAZIVANJA D.O.O. (HR) | 2010-10-07 | — | — | US | disclosed |
| US-20100112721-A1 | BLOOD BIOMARKERS FOR BONE FRACTURE AND CARTILAGE INJURY | GENERA ISTRAZIVANJA D.O.O. (HR) | 2010-05-06 | — | — | US | disclosed |
| EP-2171450-A2 | ADAMTS4 AS A BLOOD BIOMARKER AND THERAPEUTIC TARGET FOR CHRONIS RENAL FAILURE | GENERA ISTRAZIVANJA d.o.o. (HR) | 2010-04-07 | — | — | EP | disclosed |
| EP-2147311-A1 | BLOOD BIOMARKERS FOR BONE FRACTURE AND CARTILAGE INJURY | Genera Doo (HR) | 2010-01-27 | — | — | EP | disclosed |
| WO-2009002451-A2 | ADAMTS4 AS A BLOOD BIOMARKER AND THERAPEUTIC TARGET FOR CHRONIS RENAL FAILURE | GENERA, DOO (HR) | 2008-12-31 | — | — | WO | disclosed |
| WO-2008134054-A1 | BLOOD BIOMARKERS FOR BONE FRACTURE AND CARTILAGE INJURY | GENERA DOO (HR) | 2008-11-06 | — | — | WO | disclosed |
| WO-2006108095-A9 | SERUM BIOMARKER FOR DISEASE AND METHODS OF USING SAME | UNIV MARYLAND (US) | 2006-11-23 | — | — | WO | disclosed |
| WO-2006108095-A2 | SERUM BIOMARKER FOR DISEASE AND METHODS OF USING SAME | THE UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2006-10-12 | — | — | WO | disclosed |