Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.37 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Benzene SCHEMBL7263590 | 0.97 | ADRB2 (0.38) | ADRB2ADRB1KDM4EALDH1A1GAA | |
| Hydrochloric Acid SCHEMBL7717763 | 0.89 | TSHR (0.36) | ALDH1A1TSHRKMT2A | |
| Hydrochloric Acid SCHEMBL1232708 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL220991 | 0.89 | — | — | |
| Bromide SCHEMBL29011445 | 0.86 | TSHR (0.35) | ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL29043280 | 0.86 | TSHR (0.35) | ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL4869601 | 0.86 | TSHR (0.35) | ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL28077119 | 0.86 | TSHR (0.35) | ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL10636896 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL2334306 | 0.86 | — | — |
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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104884198-B | The method for preparing the hollow metal nanometer particle being supported on carrier | LG化学株式会社 | 2017-11-17 | — | — | CN | claimed |
| CN-103857484-B | The method preparing hollow metal nanometer particle and the hollow metal nanometer particle prepared by the method | LG化学株式会社 | 2016-06-08 | — | — | CN | claimed |
| CN-104884198-A | Method for manufacturing hollow metal nanoparticle supported by support body | LG CHEMICAL LTD | 2015-09-02 | — | — | CN | claimed |
| CN-103857484-A | Method for manufacturing hollow metal nanoparticles, and hollow metal nanoparticles manufactured thereby | LG CHEMICAL LTD | 2014-06-11 | — | — | CN | claimed |
| CN-101879140-A | The nanoparticle and the sustained release compositions that comprise aryl-heterocyclic compounds | ELAN PHARMA INT LTD | 2010-11-10 | — | — | CN | claimed |
| CN-101495096-A | Nanoparticulate posaconazole formulations | ELAN PHARMA INT LTD (IE) | 2009-07-29 | — | — | CN | claimed |
| CN-101484169-A | Compositions comprising nanoparticulate meloxicam and controlled release hydrocodone | ELAN PHARMA INT LTD (IE) | 2009-07-15 | — | — | CN | claimed |
| CN-101484170-A | Compositions comprising nanoparticulate meloxicam and controlled release hydrocodone | ELAN PHARMA INT LTD (IE) | 2009-07-15 | — | — | CN | claimed |
| CN-101309669-A | Compositions of lipoxygenase inhibitors | BAXTER INT (US) | 2008-11-19 | — | — | CN | claimed |
| CN-101287451-A | Nanoparticulate and controlled release compositions comprising a platelet aggregation inhibitor | ELAN PHARMA INT LTD (IE) | 2008-10-15 | — | — | CN | claimed |
| CN-101237868-A | Nanoparticulate clopidogrel and aspirin combination formulations | ELAN PHARMA INT LTD (IE) | 2008-08-06 | — | — | CN | claimed |
| CN-101212954-A | Nanoparticulate clopidogrel formulations | ELAN PHARMA INT LTD (IE) | 2008-07-02 | — | — | CN | claimed |
| CN-101198314-A | Nanoparticulate quinazoline derivative formulations | ELAN PHARMA INT LTD (IE) | 2008-06-11 | — | — | CN | claimed |
| CN-101198316-A | Nanoparticulate bisphosphonate compositions | ELAN PHARMA INT LTD (IE) | 2008-06-11 | — | — | CN | claimed |
| CN-101180038-A | Nanoparticulate corticosteroid and antihistamine formulations | ELAN PHARMA INT LTD (IE) | 2008-05-14 | — | — | CN | claimed |
| CN-101175480-A | Nanoparticulate leukotriene receptor antagonist/corticosteroid formulations | ELAN PHARMA INT LTD (IE) | 2008-05-07 | — | — | CN | claimed |
| CN-101175481-A | Injectable compositions of nanoparticulate immunosuppressive compounds | ELAN PHARMA INT LTD (IE) | 2008-05-07 | — | — | CN | claimed |
| CN-101160118-A | Nanoparticulate formulations of docetaxel and analogues thereof | ELAN PHARMA INT LTD (IE) | 2008-04-09 | — | — | CN | claimed |
| CN-101132770-A | Nanoparticulate candesartan formulations | ELAN PHARMA INT LTD (IE) | 2008-02-27 | — | — | CN | claimed |
| CN-101090720-A | Nanoparticulate compositions of tubulin inhibitor compounds | BAXTER INT (US) | 2007-12-19 | — | — | CN | claimed |