Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Cyanide. 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 | |
|---|---|---|---|---|
| Cyanide SCHEMBL5881231 | 0.89 | — | — | |
| Cyanide SCHEMBL28158720 | 0.89 | — | — | |
| Cyanide SCHEMBL28345450 | 0.89 | — | — | |
| Cyanide SCHEMBL433605 | 0.89 | — | — | |
| Cyanide SCHEMBL10573353 | 0.89 | — | — | |
| Cyanide SCHEMBL3958476 | 0.89 | — | — | |
| Cyanide SCHEMBL11787961 | 0.89 | — | — | |
| Cyanide SCHEMBL10573227 | 0.89 | — | — | |
| Cyanide SCHEMBL28348190 | 0.89 | CA1 (0.75) | — | |
| Cyanide SCHEMBL19026347 | 0.80 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7879806-B2 | 1-chloro-4-( beta -D-glucopyranos-1-yl)-2-[4-((1R,2R)-2-hydroxy-cyclopent-1-yloxy)-benzyl]-benzene; metabolic disorders such as diabetes, metabolic acidosis or ketosis, reactive hypoglycaemia, hyperinsulinaemia; sodium-dependent glucose cotransporter SGLT2 inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-02-01 | — | — | US | disclosed |
| US-20100069310-A1 | GLUCOPYRANOSYL-SUBSTITUTED BENZYL-BENZONITRILE DERIVATES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR MANUFACTURE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-03-18 | — | — | US | disclosed |
| US-7105707-B2 | Process for preparing alkynyl-substituted aromatic and heterocyclic compounds | PHARMACORE, INC. (US) | 2006-09-12 | — | — | US | disclosed |
| US-20050137402-A1 | Process for preparing alkynyl-substituted aromatic and heterocyclic compounds | DSM N.V. (NL) | 2005-06-23 | — | — | US | disclosed |
| EP-0338730-A1 | Carbonylation of allylic alcohols | The British Petroleum Company p.l.c. (GB) | 1989-10-25 | — | — | EP | disclosed |