Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Benzene. 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL17667988 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL9691214 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL11806105 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL525713 | 1.00 | — | — | |
| Benzene SCHEMBL10829587 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL27448013 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL11577988 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL905178 | 1.00 | TSHR (0.75) | — | |
| Benzene SCHEMBL28756748 | 0.89 | TP53 (0.60) | — | |
| Benzene SCHEMBL28600795 | 0.89 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114180595-B | ITQ-26 molecular sieve and preparation method thereof | 中国石油化工股份有限公司 | 2023-09-29 | — | — | CN | disclosed |
| WO-2020129727-A1 | PHENOXY RESIN, RESIN COMPOSITION INCLUDING SAME, CURED OBJECT OBTAINED THEREFROM, AND PRODUCTION METHOD THEREFOR | 日鉄ケミカル＆マテリアル株式会社 | 2020-06-25 | — | — | WO | disclosed |
| CN-109585758-A | Organic water phase flow battery, its battery diaphragm and preparation method based on salt cave | 中盐金坛盐化有限责任公司 | 2019-04-05 | — | — | CN | disclosed |
| CN-105906484-A | Method for preparing phenol by directly oxidizing benzene | 三峡大学 | 2016-08-31 | — | — | CN | disclosed |
| CN-103444430-B | Antrodia camphorata culture method | WE PRO BIOECH CO LTD | 2015-07-22 | — | — | CN | disclosed |
| CN-104116762-A | Antrodia camphorata compound formula and pharmaceutical composition containing antrodia camphorata compound formula | ZHONGYISHI BIOTECHNOLOGY CO LTD | 2014-10-29 | — | — | CN | disclosed |
| CN-103444430-A | Antrodia camphorata culture method | WE PRO BIOECH CO LTD | 2013-12-18 | — | — | CN | disclosed |
| CN-101583410-B | Absorbent compounds for removal of sulfur, use method and device therefor | UNIV HOUSTON SYSTEM | 2013-12-18 | — | — | CN | disclosed |
| CN-102725258-A | Cyclohexane-1,4-dicarboxylates | AMYRIS INC | 2012-10-10 | — | — | CN | disclosed |
| CN-101583410-A | Porous solids, selective separations, removal of sulfur compounds, adsorption | UNIV HOUSTON SYSTEM (US) | 2009-11-18 | — | — | CN | disclosed |
| EP-0667245-A1 | Recording sheets containing alcohols and saccharides | XEROX CORPORATION (US) | 1995-08-16 | — | — | EP | disclosed |