Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nitrobenzene. 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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.52 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.94 |
| ▸ | LMNA | P02545 | 2/20 | 0.94 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | CRHBP | P24387 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.60 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.60 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| Nitrobenzene SCHEMBL11039727 | 1.00 | ALDH1A1 (0.94) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL10466523 | 1.00 | ALDH1A1 (0.94) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL27591393 | 1.00 | ALDH1A1 (0.94) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL11355816 | 0.97 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL27304275 | 0.97 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL11355821 | 0.97 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL29266182 | 0.97 | ALDH1A1 (0.89) | ALDH1A1LMNATSHRL3MBTL1MEN1 | |
| Nitrobenzene SCHEMBL9669095 | 0.97 | — | — | |
| Nitrobenzene SCHEMBL1330714 | 0.97 | — | — | |
| Nitrobenzene SCHEMBL2255264 | 0.97 | ALDH1A1 (1.00) | ALDH1A1LMNATSHRL3MBTL1MEN1 |
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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118270738-A | Method for producing sulfur black and sodium thiosulfate from 2, 4-dinitrobenzene chloride | 宁夏朗利新材料股份有限公司 | 2024-07-02 | — | — | CN | claimed |
| CN-210915881-U | Production device for producing nitrobenzyl ether | 安徽生源化工有限公司 | 2020-07-03 | — | — | CN | claimed |
| WO-2019196369-A1 | THIAZOLO-PYRIMIDINE HIV-1 REVERSE TRANSCRIPTASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF | 山东大学 | 2019-10-17 | — | — | WO | claimed |
| WO-2019196370-A1 | FIVE-MEMBERED NON AROMATIC RING-PYRIMIDINE HIV-1 REVERSE TRANSCRIPTASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF | 山东大学 | 2019-10-17 | — | — | WO | claimed |
| CN-106496039-B | The separation method of nitrochlorobenzene meta-position oil intermediate nitro Benzene Chloride and para-nitrochloro-benzene, ortho-nitrochlorobenzene | 连云港泰盛化工有限公司 | 2019-04-05 | — | — | CN | claimed |
| CN-106496039-A | Nitrochlorobenzene meta-position oil intermediate nitro Benzene Chloride and para-nitrochloro-benzene, the separation method of ortho-nitrochlorobenzene | 连云港泰盛化工有限公司 | 2017-03-15 | — | — | CN | claimed |
| CN-202238058-U | Continuous nitrator for nitrochlorobenzene | ANHUI BAYI CHEMICAL INDUSTRY CO LTD | 2012-05-30 | — | — | CN | claimed |
| CN-202113863-U | Nitro chlorobenzene nitration reactor | ANHUI BAYI CHEMICAL INDUSTRY CO LTD | 2012-01-18 | — | — | CN | claimed |
| CN-102234233-A | Method for extracting organic matters from waste acid during nitrochlorobenzene production | ANHUI BAYI CHEMICAL INDUSTRY CO LTD | 2011-11-09 | — | — | CN | claimed |
| CN-102210939-A | Method and device for treating nitrochlorobenzene waste gas | ENVIRONMENTAL ENGINEERING CO LTD OF ZHEJIANG PROVINCE | 2011-10-12 | — | — | CN | claimed |
| CN-102134198-A | Method for separating nitrochlorobenzene meta-position oil | ANHUI BAYI CHEMICAL INDUSTRY CO LTD | 2011-07-27 | — | — | CN | claimed |
| CN-101284783-B | Synthetic method of nitrobenzene ether compounds | JIANGSU ZHONGDAN GROUP CO LTD | 2011-07-20 | — | — | CN | claimed |
| CN-101759569-A | Method for extracting high purity para-nitrochlorobenzene and ortho-nitrochlorobenzene by synthesis method of multistrand side track discharging rectification and continuous crystallization | UNIV NANJING NORMAL | 2010-06-30 | — | — | CN | claimed |
| CN-101613286-A | The separation of nitrobenzene chlorides and method of comprehensive utilization | HUAIAN IACHENG CO LTD | 2009-12-30 | — | — | CN | claimed |
| CN-101570501-A | Method for synthesizing p-nitrobenzenesulfonyl chloride | JIANGSU LIANHUA TECHNOLOGY CO (CN) | 2009-11-04 | — | — | CN | claimed |
| CN-101284783-A | Synthetic method of nitrobenzene ether compounds | JIANGSU ZHONGDAN GROUP CO LTD (CN) | 2008-10-15 | — | — | CN | claimed |
| JP-3141283-A | — | — | None | — | — | JP | disclosed |
| JP-63230682-A | — | — | None | — | — | JP | disclosed |
| JP-S59155020-A | MANUFACTURE OF RESIN MOLDED ITEM WITH PROJECTION | MAZDA MOTOR CORP | 1984-09-04 | — | — | JP | disclosed |
| US-4268600-A | Process for photochemically coloring textiles using photosensitive triazene and coupler therefor | Issec and Tissages de Soieries Rennis (FR) | 1981-05-19 | — | — | US | disclosed |