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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.75 |
| ▸ | TP53 | P04637 | 1/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 SCHEMBL27980 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL2936227 | 1.00 | — | — | |
| Benzene SCHEMBL5655681 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL11128314 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL10378320 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL596549 | 1.00 | — | — | |
| Benzene SCHEMBL8407900 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL10891006 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL10906411 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 | |
| Benzene SCHEMBL28759269 | 1.00 | TSHR (0.75) | TSHRTP53ALDH1A1NAPRTTDP1 |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113402754-A | Anti-protein adsorption coating modified substrate and preparation method thereof | 苏州林华医疗器械股份有限公司 | 2021-09-17 | — | — | CN | claimed |
| CN-1580081-A | Multi-arm star-type thermoplastic elastomer initiating system | BEIJING PETRO CHEMICAL COLLEGE (CN) | 2005-02-16 | — | — | CN | claimed |
| CN-117916915-A | Binder composition for electrochemical element positive electrode, conductive material dispersion liquid for electrochemical element positive electrode, slurry composition for electrochemical element positive electrode, positive electrode for electrochemical element, and electrochemical element | 日本瑞翁株式会社 | 2024-04-19 | — | — | CN | disclosed |
| CN-117355964-A | Binder composition for electrochemical element, conductive material dispersion for electrochemical element, slurry for electrochemical element electrode, electrode for electrochemical element, and electrochemical element | 日本瑞翁株式会社 | 2024-01-05 | — | — | CN | disclosed |
| CN-115260494-A | Polyimide, thin-layer composite film thereof and preparation method | 中国科学院长春应用化学研究所 | 2022-11-01 | — | — | CN | disclosed |
| CN-113402754-A | Anti-protein adsorption coating modified substrate and preparation method thereof | 苏州林华医疗器械股份有限公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-113004747-A | Coating, marine navigation mark and preparation method of coating | 张军 | 2021-06-22 | — | — | CN | disclosed |
| CN-110312699-A | The initiator system of cationic polymerization for alkene | 阿朗新科加拿大公司 | 2019-10-08 | — | — | CN | disclosed |
| CN-106574096-B | Low gloss thermoplastic composition and preparation method thereof and product comprising the composition | SABIC环球技术有限责任公司 | 2019-08-20 | — | — | CN | disclosed |
| CN-108250327-A | Siliceous functionalized polymeric with hydroxyl of a kind of end of the chain and preparation method thereof and branched polymer | 北京化工大学 | 2018-07-06 | — | — | CN | disclosed |
| CN-108250371-A | Bonding type polymer/silicon dioxide hybrid materials and preparation method thereof | 北京化工大学 | 2018-07-06 | — | — | CN | disclosed |
| CN-1041319-C | Process to blend polyamides and functionalized elastomers and blends prepared this method | SHELL INT RESEARCH (NL) | 1998-12-23 | — | — | CN | disclosed |
| CN-1163422-A | Silver halide photosensitive emulsion layer with enhanced photosensitivity | EASTMAN KODAK CO (US) | 1997-10-29 | — | — | CN | disclosed |
| CN-1138023-A | Process for preparation of aromatic compounds by decarboxylation of aromatic carboxylic acids | HOECHST AG (DE) | 1996-12-18 | — | — | CN | disclosed |
| CN-1067440-A | Utilize a kind of method of waste polystyrene production paint | SHANDONG TEXTILE TECHNOLOGY CO (CN) | 1992-12-30 | — | — | CN | disclosed |
| CN-1063703-A | Polymeric amide is with the blend method of functionalized elastomeric body and the blend that makes thus | SHELL INT RESEARCH (NL) | 1992-08-19 | — | — | CN | disclosed |
| CN-1043856-A | Make the plant pollen sterility method | VNII RASTENIEVODSTVA IM N I VA (SU) | 1990-07-18 | — | — | CN | disclosed |
| CN-87106835-A | Photosensitive polymerization film and the laminating method that scribbles photosensitivity liquid ground | — | 1988-10-05 | — | — | CN | disclosed |
| CN-85109359-A | With containing improving one's methods of PCB cooling fluid in the electric insulation cooling fluid replacement electrical induction device that does not contain PCB in fact | — | 1986-08-20 | — | — | CN | disclosed |
| EP-0010565-B1 | PROCESS FOR PREPARING N-TRITYLIMIDAZOLE COMPOUNDS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-11-10 | — | — | EP | disclosed |