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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 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 SCHEMBL6061023 | 1.00 | TSHR (0.46) | TSHRNAPRTTDP1TP53 | |
| SCHEMBL29490160 | 0.95 | TSHR (0.50) | TSHRNAPRTTDP1TP53 | |
| Pyridazine SCHEMBL1291979 | 0.95 | — | — | |
| Pyridazine SCHEMBL6054191 | 0.95 | TSHR (0.39) | TSHRNAPRTTDP1 | |
| Pyridazine SCHEMBL692917 | 0.95 | — | — | |
| Pyridazine SCHEMBL5899626 | 0.95 | TSHR (0.39) | TSHRNAPRTTDP1 | |
| Benzene SCHEMBL250829 | 0.95 | TSHR (0.50) | TSHRNAPRTTDP1TP53 | |
| Pyridazine SCHEMBL750100 | 0.95 | — | — | |
| Pyridazine SCHEMBL30294987 | 0.95 | — | — | |
| Pyridazine SCHEMBL11423 | 0.89 | TSHR (0.42) | TSHRNAPRTTDP1 |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4722893-A | Reagents for enzyme immunoassay for apolipoprotein B | SHIRAIMATSU SHINYAKU KABUSHIKI KAISHA (JP) | 1988-02-02 | — | — | US | claimed |
| US-8193186-B2 | Pyridopyrazines and the use thereof as kinase inhibitors | AETERNA ZENTARIS GMBH (DE) | 2012-06-05 | — | — | US | disclosed |
| US-20090324803-A1 | Method for Attachment of Biomolecules to Medical Device Surfaces | KEOGH JAMES R | 2009-12-31 | — | — | US | disclosed |
| US-20080113991-A1 | Pyridopyrazines and the use thereof as kinase inhibitors | ZENTARIS GMBH (DE) | 2008-05-15 | — | — | US | disclosed |
| US-7323468-B2 | Pyridopyrazines and the use thereof as kinase inhibitors | AETERNA ZENTARIS GMBH (DE) | 2008-01-29 | — | — | US | disclosed |
| WO-2007109118-A9 | RECOMBINANT HUMAN CC 10 (rhCC10) FOR TREATMENT OF RESPIRATORY DISORDERS | CC 10 SWEDEN AB (US) | 2007-12-27 | — | — | WO | disclosed |
| US-20070275972-A1 | Pyridopyrazines and the use thereof as kinase inhibitors | AETERNA ZENTARIS GMBH (DE) | 2007-11-29 | — | — | US | disclosed |
| US-7276507-B2 | Pyridopyrazines and the use thereof as kinase inhibitors | AETERNA ZENTARIS GMBH (DE) | 2007-10-02 | — | — | US | disclosed |
| WO-2007109118-A2 | RECOMBINANT HUMAN CC 10 (rhCC10) FOR TREATMENT OF RESPIRATORY DISORDERS | CC 10 SWEDEN AB (SE) | 2007-09-27 | — | — | WO | disclosed |
| US-20070048352-A1 | Method for attachment of biomolecules to medical device surfaces | MEDTRONIC, INC. (US) | 2007-03-01 | — | — | US | disclosed |
| US-5707626-A | Methods of treating HIV infection using antibodies to the U2 small nuclear ribonuclear protein | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 1998-01-13 | — | — | US | disclosed |
| EP-0689455-A4 | THERAPEUTIC STRATEGIES FOR IMMUNOINFECTIVE CLUSTER VIRUS INFECTIONS | UNIV SOUTHERN CALIFORNIA (US) | 1997-07-23 | — | — | EP | disclosed |
| EP-0750636-A1 | METHODS TO DIAGNOSE AND TREAT HIV-1 INFECTION | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 1997-01-02 | — | — | EP | disclosed |
| EP-0689455-A1 | THERAPEUTIC STRATEGIES FOR IMMUNOINFECTIVE CLUSTER VIRUS INFECTIONS | THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 1996-01-03 | — | — | EP | disclosed |
| WO-1995025124-A1 | METHODS TO DIAGNOSE AND TREAT HIV-1 INFECTION | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 1995-09-21 | — | — | WO | disclosed |
| EP-0660928-A1 | METHODS AND KITS FOR EVALUATING RISK OF DEVELOPING PERIODONTITIS | THE PROCTER & GAMBLE COMPANY (US) | 1995-07-05 | — | — | EP | disclosed |
| US-5376532-A | Methods for evaluating risk of developing periodontitis | THE PROCTER & GAMBLE COMPANY (US) | 1994-12-27 | — | — | US | disclosed |
| WO-1994020141-A1 | THERAPEUTIC STRATEGIES FOR IMMUNOINFECTIVE CLUSTER VIRUS INFECTIONS | THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 1994-09-15 | — | — | WO | disclosed |
| WO-1994007137-A1 | METHODS AND KITS FOR EVALUATING RISK OF DEVELOPING PERIODONTITIS | THE PROCTER & GAMBLE COMPANY (US) | 1994-03-31 | — | — | WO | disclosed |
| US-4722893-A | Reagents for enzyme immunoassay for apolipoprotein B | SHIRAIMATSU SHINYAKU KABUSHIKI KAISHA (JP) | 1988-02-02 | — | — | 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 (2 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-20070275972-A1 | Pyridopyrazines and the use thereof as kinase inhibitors | MKI67, MAP4K2, MAP3K5 | TSHR 2335/4885NAPRT 956/4885TDP1 963/4885 |
| US-20080113991-A1 | Pyridopyrazines and the use thereof as kinase inhibitors | MKI67, MAP4K2, MAP3K5 | TSHR 2335/4885NAPRT 956/4885TDP1 963/4885 |
“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.