Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Methyl Isobutyl Ketone. 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 | |
|---|---|---|---|---|
| Methyl Isobutyl Ketone SCHEMBL6249965 | 0.97 | ALDH1A1 (0.88) | — | |
| Methyl Isobutyl Ketone SCHEMBL28252405 | 0.97 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL28199172 | 0.97 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL10680946 | 0.97 | ALDH1A1 (0.88) | — | |
| Methyl Isobutyl Ketone SCHEMBL1128055 | 0.97 | ALDH1A1 (1.00) | — | |
| Methyl Isobutyl Ketone SCHEMBL15458 | 0.97 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL1580340 | 0.97 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL29087110 | 0.94 | ALDH1A1 (0.82) | — | |
| Methyl Isobutyl Ketone SCHEMBL7073455 | 0.93 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL8421472 | 0.93 | — | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119972145-A | Bifunctional solid acid catalyst, preparation method thereof and method for preparing HMF from glucose | 盐城工学院 | 2025-05-13 | — | — | CN | claimed |
| EP-4613272-A1 | USE OF PYRIDINE DERIVATIVE WHICH IS TRPV1 ANTAGONIST | Shionogi & Co., Ltd (JP) | 2025-09-10 | — | — | EP | disclosed |
| US-20250073226-A1 | USE OF OPIOID FOR TREATMENT OF AUTISM SPECTRUM DISORDERS | OSAKA UNIVERSTIY (JP) | 2025-03-06 | — | — | US | disclosed |
| WO-2024262491-A1 | CRYSTAL OF NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING NRF2 ACTIVATION EFFECT | 中外製薬株式会社 | 2024-12-26 | — | — | WO | disclosed |
| CN-118995848-A | Method for synthesizing furfuryl amine by catalyzing biomass through chemical-biological coupling based on ternary deep eutectic solvent and application of method | 常州大学 | 2024-11-22 | — | — | CN | disclosed |
| EP-4454649-A1 | USE OF OPIOID FOR TREATMENT OF AUTISM SPECTRUM DISORDERS | OSAKA UNIVERSITY (JP) | 2024-10-30 | — | — | EP | disclosed |
| CN-114988996-B | Process for separating and recycling recovery materials of MIBK light component tower | 浙江镇洋发展股份有限公司 | 2024-05-17 | — | — | CN | disclosed |
| US-11958805-B2 | Solid forms comprising an oxime ether compound, compositions and methods of use thereof | NOVARTIS AG (CH) | 2024-04-16 | — | — | US | disclosed |
| CN-115463684-A | Bifunctional acidic SBA-15-based catalyst and preparation method thereof | 东南大学 | 2022-12-13 | — | — | CN | disclosed |
| US-20200377454-A1 | Solid Forms Comprising An Oxime Ether Compound, Compositions and Methods of Use Thereof | NOVARTIS INTERNATIONAL PHARMACEUTICAL AG (CH) | 2020-12-03 | — | — | US | disclosed |
| EP-0967221-B1 | PROCESS FOR PREPARING PHARMACOLOGICALLY ACCEPTABLE SALTS OF N-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANYL AMINO ACIDS | KANEKA CORP (JP) | 2005-05-25 | — | — | EP | disclosed |
| US-6713628-B2 | BY-PRODUCT INHIBITION OF THE DIKETOPIPERAZINE DERIVATIVE BY CARRYING OUT IN AQUEOUS LIQUID A SERIES OF OPERATIONS UNDER GIVEN CONDITIONS IN THE SAME SOLVENT; MAKING ENALAPRIL MALEATE FOR EXAMPLE | KANEKA CORPORATION (JP) | 2004-03-30 | — | — | US | disclosed |
| US-6518436-B2 | Condensing an amino acid and N-(1(S)-ethoxycarbonyl-3-phenylpropyl)-L-alanine-N-carboxy-anhydride; suppressing the by-product diketopiperazine derivative; making enalapril maleate | KANEKA CORPORATION (JP) | 2003-02-11 | — | — | US | disclosed |
| US-6335453-B1 | BY-PROUDCT INHIBITION | KANEKA CORPORATION (JP) | 2002-01-01 | — | — | US | disclosed |
| EP-0967221-A1 | PROCESS FOR PREPARING PHARMACOLOGICALLY ACCEPTABLE SALTS OF N-(1(S)-ETHOXYCARBONYL-3-PHENYLPROPYL)-L-ALANYL AMINO ACIDS | KANEKA CORPORATION (JP) | 1999-12-29 | — | — | EP | disclosed |
| US-5940307-A | Method for predicting the tendency of a protein to form amphiphilic αβ structure | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1999-08-17 | — | — | US | disclosed |
| WO-1996018957-A9 | A METHOD FOR PREDICTING PROTEIN STRUCTURE | — | 1996-08-01 | — | — | WO | disclosed |
| WO-1996018957-A1 | A METHOD FOR PREDICTING PROTEIN STRUCTURE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 1996-06-20 | — | — | WO | disclosed |
| US-4227996-A | FROTH FLOTATION, POLYAMINE CATIONIC COLLECTOR | CELANESE CORPORATION (US) | 1980-10-14 | — | — | US | disclosed |
| US-4098844-A | ADDITION COPOLYMER STABILIZED WITH AN ISOCYANATE-CONTAINING POLYMER | DAI NIPPON TORYO CO., LTD. (JP) | 1978-07-04 | — | — | US | disclosed |