Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of 4-Imidazolecarboxylic Acid. 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 | |
|---|---|---|---|---|
| 4-Imidazolecarboxylic Acid SCHEMBL70915 | 0.98 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL10564448 | 0.95 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL1436797 | 0.95 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL28097251 | 0.95 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL28123266 | 0.95 | KDM4E (0.37) | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL20482343 | 0.86 | ASPH (0.36) | — | |
| Biphenyl SCHEMBL27648104 | 0.86 | KMO (0.44) | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL20488406 | 0.82 | KDM4E (0.32) | — | |
| SCHEMBL5752399 | 0.80 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL20489189 | 0.78 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2499121-B1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. | HOFFMANN LA ROCHE (CH) | 2015-10-07 | — | — | EP | disclosed |
| EP-2173717-B9 | NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME | BRISTOL MYERS SQUIBB CO (US) | 2013-06-26 | — | — | EP | disclosed |
| EP-2173717-B1 | NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME | BRISTOL MYERS SQUIBB CO (US) | 2013-03-27 | — | — | EP | disclosed |
| US-8354441-B2 | Oxazoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-01-15 | — | — | US | disclosed |
| US-8273777-B2 | Glucokinase activators and methods of using same | BRISTOL-MEYER SQUIBB COMPANY (US) | 2012-09-25 | — | — | US | disclosed |
| EP-2499121-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. | F. Hoffmann-La Roche AG (CH) | 2012-09-19 | — | — | EP | disclosed |
| CN-102686572-A | Oxazoline derivatives for treatment of CNS disorders | HOFFMANN LA ROCHE | 2012-09-19 | — | — | CN | disclosed |
| WO-2011057973-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-19 | — | — | WO | disclosed |
| US-20110112080-A1 | OXAZOLINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-12 | — | — | US | disclosed |
| US-20100324071-A1 | NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME | BRISTOL-MYERS SQUIBB COMPANY | 2010-12-23 | — | — | US | disclosed |
| US-7812048-B2 | Glucokinase activators and methods of using same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-10-12 | — | — | US | disclosed |
| CN-101808995-A | Novel glucokinase activating agents and using method thereof | BRISTOL MYERS SQUIBB CO (US) | 2010-08-18 | — | — | CN | disclosed |
| EP-2173717-A2 | NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME | Brystol-Myers Squibb Company (US) | 2010-04-14 | — | — | EP | disclosed |
| WO-2009018065-A2 | NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-05 | — | — | WO | disclosed |
| US-20090030046-A1 | NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME | BRISTOL-MYERS SQUIBB COMPANY | 2009-01-29 | — | — | US | disclosed |