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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG known ✓ | P37231 | 1/20 | 0.63 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.53 |
| ▸ | BID | P55957 | 4/20 | 0.63 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.63 |
| ▸ | KAT8 | Q9H7Z6 | 3/20 | 0.63 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 0.63 |
| ▸ | BAK1 | Q16611 | 3/20 | 0.63 |
| ▸ | SAE1 | Q9UBE0 | 2/20 | 0.63 |
| ▸ | EP300 | Q09472 | 2/20 | 0.63 |
| ▸ | KAT5 | Q92993 | 2/20 | 0.63 |
| ▸ | PPARA | Q07869 | 1/20 | 0.63 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.63 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.63 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.58 |
| ▸ | TYR | P14679 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11550876 | 0.98 | LIPG (0.61) | BIDMCL1KAT8BCL2L1BAK1 | |
| Hydrochloric Acid SCHEMBL11557260 | 0.98 | LIPG (0.61) | BIDMCL1KAT8BCL2L1BAK1 | |
| Benzene SCHEMBL27342472 | 0.98 | BID (0.65) | BIDMCL1KAT8BCL2L1BAK1 | |
| Benzene SCHEMBL11301583 | 0.98 | BID (0.65) | BIDMCL1KAT8BCL2L1BAK1 | |
| Hydrochloric Acid SCHEMBL11557256 | 0.98 | LIPG (0.61) | BIDMCL1KAT8BCL2L1BAK1 | |
| Benzene SCHEMBL28139859 | 0.98 | BID (0.65) | BIDMCL1KAT8BCL2L1BAK1 | |
| Benzene SCHEMBL27423149 | 0.98 | BID (0.65) | BIDMCL1KAT8BCL2L1BAK1 | |
| Hydrochloric Acid SCHEMBL11550873 | 0.98 | LIPG (0.61) | BIDMCL1KAT8BCL2L1BAK1 | |
| Hydrochloric Acid SCHEMBL8055822 | 0.96 | LIPG (0.59) | BIDMCL1KAT8BCL2L1BAK1 | |
| SCHEMBL157630 | 0.96 | LIPG (0.63) | BIDMCL1KAT8BCL2L1BAK1 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107159258-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-09-15 | — | — | CN | disclosed |
| CN-107159254-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-09-15 | — | — | CN | disclosed |
| CN-107088428-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-25 | — | — | CN | disclosed |
| CN-107051489-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-18 | — | — | CN | disclosed |
| CN-107051495-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-18 | — | — | CN | disclosed |
| CN-107051488-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-18 | — | — | CN | disclosed |
| CN-107051507-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-18 | — | — | CN | disclosed |
| CN-107029744-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-11 | — | — | CN | disclosed |
| CN-107020131-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-08 | — | — | CN | disclosed |
| CN-107008293-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-04 | — | — | CN | disclosed |
| CN-107008402-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-04 | — | — | CN | disclosed |
| CN-107008393-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-04 | — | — | CN | disclosed |
| CN-107008378-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-04 | — | — | CN | disclosed |
| CN-107008319-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-04 | — | — | CN | disclosed |
| CN-107008320-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-04 | — | — | CN | disclosed |
| CN-107008382-A | The preparation method of ozone Heterogeneous oxidation solid catalyst | 四川师范大学 | 2017-08-04 | — | — | CN | disclosed |