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.
Predicted protein targets (top 2)
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 SCHEMBL1039544 | 1.00 | — | — | |
| Benzene SCHEMBL28159903 | 1.00 | TSHR (0.35) | TSHRTP53 | |
| Benzene SCHEMBL2174781 | 1.00 | TSHR (0.35) | TSHRTP53 | |
| Benzene SCHEMBL28315068 | 0.95 | TSHR (0.33) | TSHRTP53 | |
| Benzene SCHEMBL28307657 | 0.95 | TSHR (0.33) | TSHRTP53 | |
| Benzene SCHEMBL17111929 | 0.95 | TSHR (0.33) | TSHRTP53 | |
| Benzene SCHEMBL28208154 | 0.95 | TSHR (0.33) | TSHRTP53 | |
| Benzene SCHEMBL27912368 | 0.91 | TSHR (0.32) | TSHR | |
| Benzene SCHEMBL28322306 | 0.87 | TSHR (0.30) | TSHR | |
| Benzene SCHEMBL11789304 | 0.83 | CA1 (0.54) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110066226-B | Refining process of acetonitrile-containing wastewater | 北京化工大学 | 2020-06-30 | — | — | CN | claimed |
| CN-110066226-A | A kind of process for refining containing ethane nitrile wastewater | 北京化工大学 | 2019-07-30 | — | — | CN | claimed |
| CN-102239444-B | Electrochromic optical element having an apodized aperture | PPG IND OHIO INC | 2014-08-13 | — | — | CN | claimed |
| CN-102239444-A | Electrochromic optical element having an apodized aperture | PPG IND OHIO INC | 2011-11-09 | — | — | CN | claimed |
| CN-110066226-B | Refining process of acetonitrile-containing wastewater | 北京化工大学 | 2020-06-30 | — | — | CN | disclosed |
| CN-110066226-B | Refining process of acetonitrile-containing wastewater | 北京化工大学 | 2020-06-30 | — | — | CN | disclosed |
| CN-110066226-A | A kind of process for refining containing ethane nitrile wastewater | 北京化工大学 | 2019-07-30 | — | — | CN | disclosed |
| CN-110066226-A | A kind of process for refining containing ethane nitrile wastewater | 北京化工大学 | 2019-07-30 | — | — | CN | disclosed |
| CN-108586178-A | The manufacturing method of nitrile and its corresponding amine | 中国石油化工股份有限公司 | 2018-09-28 | — | — | CN | disclosed |
| CN-104557610-B | Process for the manufacture of nitriles and their corresponding amines | 中国石油化工股份有限公司 | 2018-04-27 | — | — | CN | disclosed |
| CN-104557610-A | Process for the manufacture of nitriles and their corresponding amines | CHINA PETROLEUM & CHEMICAL | 2015-04-29 | — | — | CN | disclosed |
| CN-102239444-B | Electrochromic optical element having an apodized aperture | PPG IND OHIO INC | 2014-08-13 | — | — | CN | disclosed |
| CN-102239444-A | Electrochromic optical element having an apodized aperture | PPG IND OHIO INC | 2011-11-09 | — | — | CN | disclosed |
| US-6602895-B2 | Inhibitors of factor Xa with a neutral P1 specificity group | BRISTOL-MYERS SQUIBB COMPANY | 2003-08-05 | — | — | US | disclosed |
| US-20030092740-A1 | Inhibitors of factor Xa with a neutral P1 specificity group | GALEMMO ROBERT A (US) | 2003-05-15 | — | — | US | disclosed |
| US-6403620-B1 | ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-06-11 | — | — | US | disclosed |
| US-5998424-A | ANTICOAGULANTS | DUPONT PHARMACEUTICALS COMPANY (US) | 1999-12-07 | — | — | US | disclosed |
| CN-1119062-A | Process for preparing agricultural fungicide myclobutanil | JIANGSU INST OF PESTICIDE (CN) | 1996-03-27 | — | — | CN | disclosed |
| US-3959468-A | Antibiotic equisetin and method of production | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1976-05-25 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030092740-A1 | Inhibitors of factor Xa with a neutral P1 specificity group | F12, F11, SERPINC1 | TSHR 1595/4885TP53 4728/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.