Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Isobutylbenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 known ✓ | Q99720 | 5/20 | 0.61 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.61 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.61 |
| ▸ | SLC6A3 known ✓ | Q01959 | 2/20 | 0.61 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.61 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.61 |
| ▸ | HTR2A known ✓ | P28223 | 2/20 | 0.50 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.50 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.50 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.50 |
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.48 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.48 |
| ▸ | ADRB3 known ✓ | P13945 | 1/20 | 0.48 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.48 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.61 |
| ▸ | MAOA | P21397 | 1/20 | 0.61 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.56 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| Isobutylbenzene SCHEMBL7493657 | 0.97 | SIGMAR1 (0.64) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL57393 | 0.97 | SIGMAR1 (0.64) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL2571645 | 0.97 | SIGMAR1 (0.64) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL27677126 | 0.94 | SIGMAR1 (0.61) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL31498540 | 0.94 | SIGMAR1 (0.61) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL1894392 | 0.94 | SIGMAR1 (0.61) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL31284788 | 0.94 | SIGMAR1 (0.61) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL363626 | 0.94 | TAAR1 (0.61) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL11468970 | 0.94 | TAAR1 (0.61) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Isobutylbenzene SCHEMBL113603 | 0.92 | TAAR1 (0.58) | SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040034258-A1 | Crystalline MWW-type titanosilicate catalyst for producing oxidized compound, production process for the catalyst, and process for producing oxidized compound by using the catalyst | SHOWA DENKO K.K. | 2004-02-19 | — | — | US | claimed |
| EP-1324948-A2 | CRYSTALLINE MWW-TYPE TITANOSILICATE, ITS PREPARATION AND USE THEREOF FOR PRODUCING EPOXIDES | Showa Denko K.K. (JP) | 2003-07-09 | — | — | EP | claimed |
| US-20030040649-A1 | Crystalline mww-type titanosilicate catalyst for producing oxidized compound, production process for the catalyst, and process for producing oxidized compound by using the catalyst | SHOWA DENKO K.K. (JP) | 2003-02-27 | — | — | US | claimed |
| WO-2002028774-A2 | CRYSTALLINE MWW-TYPE TITANOSILICATE , ITS PREPARATION AND USE THEREOF FOR PRODUCING EPOXIDES | SHOWA DENKO K. K. (JP) | 2002-04-11 | — | — | WO | claimed |
| JP-51143647-A | — | — | None | — | — | JP | disclosed |
| CN-104704115-B | With the active polypeptide of peroxygenases | 诺维信公司 | 2018-11-02 | — | — | CN | disclosed |
| CN-104718286-B | With the active polypeptide of peroxygenases | 诺维信公司 | 2018-10-30 | — | — | CN | disclosed |
| CN-104704116-B | Polypeptides having peroxygenase activity | 诺维信公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-104718287-B | Polypeptide with peroxygenases activity | 诺维信公司 | 2018-02-06 | — | — | CN | disclosed |
| CN-103635231-A | Topical compositions | DOW CORNING FRANCE SAS | 2014-03-12 | — | — | CN | disclosed |
| CN-103547316-A | Personal care and health care compositions | DOW CORNING | 2014-01-29 | — | — | CN | disclosed |
| JP-S51143647-A | PROCESS FOR OBTAINING OPTICALLY ACTIVE TRANS-2,2-DIMETHYL-3-(2,2-DICHL OROVINYL) CYCLOPROPANECARBOXYLIC ACID | SUMITOMO CHEM CO LTD | 1976-12-10 | — | — | JP | disclosed |