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 SCHEMBL15940238 | 1.00 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL9838754 | 1.00 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL19376785 | 1.00 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL9935942 | 1.00 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL490215 | 1.00 | — | — | |
| Acetonitrile SCHEMBL25284595 | 1.00 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL27867164 | 1.00 | — | — | |
| Acetonitrile SCHEMBL167513 | 1.00 | — | — | |
| Acetonitrile SCHEMBL1571600 | 1.00 | — | — | |
| Acetonitrile SCHEMBL2186630 | 0.94 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240199624-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS | CHDI FOUNDATION INC (US) | 2024-06-20 | — | — | US | disclosed |
| WO-2024118607-A1 | COMPOUNDS, COMPOSITIONS, AND METHODS | CHDI FOUNDATION, INC. (US) | 2024-06-06 | — | — | WO | disclosed |
| EP-3684357-B1 | HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME LLC (US) | 2022-12-28 | — | — | EP | disclosed |
| US-20220119351-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2022-04-21 | — | — | US | disclosed |
| EP-3433234-B1 | ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME (US) | 2021-10-27 | — | — | EP | disclosed |
| EP-3788043-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | Merck Sharp & Dohme Corp. (US) | 2021-03-10 | — | — | EP | disclosed |
| WO-2020223136-A1 | SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2020-11-05 | — | — | WO | disclosed |
| EP-3684357-A1 | HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | Merck Sharp & Dohme Corp. (US) | 2020-07-29 | — | — | EP | disclosed |
| EP-3534889-A1 | SUBSTITUTED 6-MEMBERED ARYL OR HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | Merck Sharp & Dohme Corp. (US) | 2019-09-11 | — | — | EP | disclosed |
| WO-2019060210-A1 | HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2019-03-28 | — | — | WO | disclosed |
| CN-102574838-B | Pyrrole and [2,3-C] pyridine derivative using as P38 kinase inhibiting agents | MERCK SHARP & DOHME | 2014-07-02 | — | — | CN | disclosed |
| US-8513289-B2 | P38 kinase inhibiting agents | MERCK SHARP & DOHME CORP. (US) | 2013-08-20 | — | — | US | disclosed |
| EP-2427452-A1 | P38 KINASE INHIBITING AGENTS | Merck Sharp & Dohme Corp. (US) | 2012-03-14 | — | — | EP | disclosed |
| US-20120040999-A1 | P38 KINASE INHIBITING AGENTS | MERCK SHARP & DOHME LLC | 2012-02-16 | — | — | US | disclosed |
| WO-2010129208-A1 | P38 KINASE INHIBITING AGENTS | MERCK SHARP & DOHME CORP. (US) | 2010-11-11 | — | — | WO | disclosed |
| US-7781417-B2 | Cyclodextrin dimers and derivatives thereof, methods for preparing them and their use, in particular, for the solubilizing pharmacologically active substances | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2010-08-24 | — | — | US | disclosed |
| US-20070082867-A1 | Novel cyclodextrin dimers and derivatives thereof, methods for preparing them and their use, in particular, for the solubilizing pharmacologically active substances | UNIVERSIDAD DE SEVILLA (ES) | 2007-04-12 | — | — | US | disclosed |
| US-5821241-A | INHIBIT BINDING OF FIBRINOGEN TO BLOOD PLATELETS, INHIBIT AGGREGATION OF BLOOD PLATELETS, PREVENT OR TREAT THROMBUS OR EMBOLUS FORMATION | MERCK & CO., INC. (US) | 1998-10-13 | — | — | US | disclosed |
| US-5461046-A | Analgesics | G. D. SEARLE & CO. (US) | 1995-10-24 | — | — | US | disclosed |
| US-5304644-A | 1-,2-,3-,4-,5-,6-,7-,8- and/or 9 substituted dibenzoxazepine compounds, pharmaceutical compositions and methods for treating pain | G. D. SEARLE & CO. (US) | 1994-04-19 | — | — | US | disclosed |