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 SCHEMBL8519410 | 1.00 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL16336381 | 1.00 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL17760371 | 1.00 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL9069073 | 1.00 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL62038 | 1.00 | — | — | |
| Acetonitrile SCHEMBL8068343 | 1.00 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL5014259 | 1.00 | — | — | |
| Acetonitrile SCHEMBL2782640 | 1.00 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL20602258 | 1.00 | CA1 (0.40) | — | |
| Acetonitrile SCHEMBL15161756 | 1.00 | CA1 (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
Appears in 2411 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114609263-B | Method for detecting (R) -2, 4-diiodo-3-methyl-1-alkene and enantiomer thereof | 苏州正济药业有限公司 | 2024-06-18 | — | — | CN | claimed |
| CN-118150735-A | Detection method for glucocorticoid in serum-free culture medium | 大连理工大学 | 2024-06-07 | — | — | CN | claimed |
| CN-118090980-A | Method for detecting asiaticoside and madecassoside in cosmetics | 上海市质量监督检验技术研究院 | 2024-05-28 | — | — | CN | claimed |
| CN-117924115-A | Method and system for continuously separating acetonitrile and methanol mixture | 江苏三贵资源再生有限公司 | 2024-04-26 | — | — | CN | claimed |
| CN-114720614-B | Method for detecting content of asiaticoside-B and/or madecassoside by HPLC-CAD method | 桂林三金药业股份有限公司 | 2024-04-26 | — | — | CN | claimed |
| CN-117849243-A | Impurity Z in mometasone furoate cream 3r And impurity Z 3q Method for separation and measurement of (2) | 重庆华邦制药有限公司 | 2024-04-09 | — | — | CN | claimed |
| WO-2024017404-A9 | DEGRADATION IMPURITY OF INDOCYANINE GREEN, PREPARATION METHOD THEREFOR, AND USE THEREOF | 南京诺源医疗器械有限公司 | 2024-02-22 | — | — | WO | claimed |
| CN-116840386-B | High performance liquid chromatography detection method for related substances of delafloxacin meglumine bulk drug | 山东齐都药业有限公司 | 2024-02-13 | — | — | CN | claimed |
| CN-117169392-B | Pretreatment method for detecting impurity content in nifedipine controlled release tablet, detection method and application thereof | 华润双鹤利民药业（济南）有限公司 | 2024-01-26 | — | — | CN | claimed |
| CN-117451895-A | Method for detecting content of non-splatter Luo Nijia oxypropylene praziquantel moxidectin | 浙江海正动物保健品有限公司 | 2024-01-26 | — | — | CN | claimed |
| EP-0792886-B1 | NOVEL PEPTIDE AND THERAPEUTIC AGENT | SEKISUI CHEMICAL CO LTD (JP) | 1999-11-17 | — | — | EP | claimed |
| US-5858971-A | ANTIINFLAMMATORY, WOUND-HEALING, ANTI-ULCER AGENTS | SEKISUI CHEMICAL CO., LTD. (JP) | 1999-01-12 | — | — | US | claimed |
| EP-0010421-B1 | MIXTURE OF ANTIBIOTICS DESIGNATED BY A-21978, PROCESS FOR ITS PRODUCTION, THEIR PHARMACEUTICAL COMPOSITIONS AND PRODUCING MICROORGANISM | ELI LILLY AND COMPANY (US) | 1990-10-10 | — | — | EP | claimed |
| EP-0386140-A1 | FACTORS ASSOCIATED WITH ESSENTIAL HYPERTENSION | BOARD OF REGENTS OF THE UNIVERSITY OF WASHINGTON, Office of Technology Transfer (US) | 1990-09-12 | — | — | EP | claimed |
| WO-1989003836-A1 | FACTORS ASSOCIATED WITH ESSENTIAL HYPERTENSION | BOARD OF REGENTS OF THE UNIVERSITY OF WASHINGTON (US) | 1989-05-05 | — | — | WO | claimed |
| EP-0248916-A1 | Method for separation of 3S,7R-3,4,5,6,7,8,9,10,11,12-decahydro-7,14,16-trihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1-one from its 3S,7S-diastereomer | C.R.C. Compagnia di Ricerca Chimica S.p.A. (IT) | 1987-12-16 | — | — | EP | claimed |
| US-RE32455-E | A-21978 antibiotics and process for their production | ELI LILLY AND COMPANY (US) | 1987-07-07 | — | — | US | claimed |
| US-4468328-A | Purification of 12-O-tetradecanoylphorbol-13-acetate, phorbol, and 4α- | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILL. (US) | 1984-08-28 | — | — | US | claimed |
| US-4331594-A | PEPTIDE ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1982-05-25 | — | — | US | claimed |
| EP-0010421-A1 | Mixture of antibiotics designated by A-21978, process for its production, their pharmaceutical compositions and producing microorganism | ELI LILLY AND COMPANY (US) | 1980-04-30 | — | — | EP | claimed |