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 SCHEMBL7962532 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL6268733 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL8413087 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL156477 | 1.00 | — | — | |
| Acetonitrile SCHEMBL7647027 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL6822200 | 1.00 | — | — | |
| Acetonitrile SCHEMBL7460309 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL6263408 | 1.00 | ALDH1A1 (0.40) | — | |
| Acetonitrile SCHEMBL21768801 | 1.00 | — | — | |
| Acetonitrile SCHEMBL8505586 | 1.00 | ALDH1A1 (0.40) | — |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112110932-B | Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy | 沈阳药科大学 | 2021-12-28 | — | — | CN | claimed |
| CN-213823503-U | Device for separating dichloromethane-acetonitrile-water system by partition plate tower | 天津青年湖精工科技发展有限公司 | 2021-07-30 | — | — | CN | claimed |
| CN-112110932-A | Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy | 沈阳药科大学 | 2020-12-22 | — | — | CN | claimed |
| CN-112110932-B | Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy | 沈阳药科大学 | 2021-12-28 | — | — | CN | disclosed |
| CN-109839464-B | Pretreatment method for detecting aflatoxin in food matrix | 中国科学院大连化学物理研究所 | 2021-09-28 | — | — | CN | disclosed |
| CN-213823503-U | Device for separating dichloromethane-acetonitrile-water system by partition plate tower | 天津青年湖精工科技发展有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-213823503-U | Device for separating dichloromethane-acetonitrile-water system by partition plate tower | 天津青年湖精工科技发展有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-213823503-U | Device for separating dichloromethane-acetonitrile-water system by partition plate tower | 天津青年湖精工科技发展有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-112110932-A | Method for synthesizing phthalide tetrahydroisoquinoline compound by tandem cyclization strategy | 沈阳药科大学 | 2020-12-22 | — | — | CN | disclosed |
| CN-109839464-A | The pre-treating method of aflatoxin in a kind of detection food substrate | 中国科学院大连化学物理研究所 | 2019-06-04 | — | — | CN | disclosed |
| US-20180289718-A1 | FUSED IMIDAZOLE COMPOUNDS | ONO PHARMACEUTICAL CO., LTD. (JP) | 2018-10-11 | — | — | US | disclosed |
| EP-1535913-A1 | NOVEL QUATERNARY AMMONIUM COMPOUNDS | Asahi Kasei Pharma Corporation (JP) | 2005-06-01 | — | — | EP | disclosed |
| US-20050009805-A1 | Novel quaternary ammonium compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2005-01-13 | — | — | US | disclosed |
| US-6656711-B2 | Concentrating epothilones in culture from Sorangium strains obtained by mutagenesis; antitumor agents | NOVARTIS AG (CH) | 2003-12-02 | — | — | US | disclosed |
| US-20030194787-A1 | Concentrating epothilones in culture media; using a cyclodextrin or derivative complexing agent; reverse phase chromatography with acetonitrile as eluant; Sorangium cellulosum obtained by mutagenesis | HOFMANN HANS (CH) | 2003-10-16 | — | — | US | disclosed |
| US-20020165256-A1 | Fermentative preparation process for and crystal forms of cytostatics | HOFMANN HANS (CH) | 2002-11-07 | — | — | US | disclosed |
| US-20020151676-A1 | Streptogramin derivatives, preparation method and compositions containing same | AVENTIS PHARMA S.A. (FR) | 2002-10-17 | — | — | US | disclosed |
| US-6380227-B1 | FOR THERAPY OF PROLIFERATIVE DISEASE | NOVARTIS AG (CH) | 2002-04-30 | — | — | US | disclosed |
| CN-1290270-A | Streptogramin derivatives, preparation method and compositions containing them | AWENTIS PHARMACEUTICS S A (FR) | 2001-04-04 | — | — | CN | disclosed |
| US-6194181-B1 | PRODUCING EPOTHIOLONES IN A CULTURE MEDIUM BY PROVIDING MICROORGANISMS SUCH AS MYXOBACTERIA WHICH PRODUCE EPOTHIOLONES, AND ADDING A COMPLEX-FORMING AGENT SOLUBLE IN THE CULTURE MEDIUM, SUCH AS CYCLODEXTRINS; ANTITUMOR AGENTS | NOVARTIS AG (CH) | 2001-02-27 | — | — | US | disclosed |