Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzonitrile. 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 | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 4/20 | 0.54 |
| ▸ | MAOA known ✓ | P21397 | 3/20 | 0.54 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.46 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.88 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL3650085 | 1.00 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL17107360 | 0.97 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL343530 | 0.97 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL16899036 | 0.97 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL4272158 | 0.97 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL3852661 | 0.97 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Hydrochloric Acid SCHEMBL7996155 | 0.97 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL2708030 | 0.97 | — | — | |
| Benzonitrile SCHEMBL506879 | 0.97 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL2904373 | 0.97 | — | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122080083-A | Preparation method of bis (cyanobenzene) palladium dichloride | — | 2026-05-26 | — | — | CN | claimed |
| US-20100228036-A1 | PROCESS FOR MAKING GLUCOCORTICOID RECEPTOR LIGANDS | CHEN QINGHAO | 2010-09-09 | — | — | US | claimed |
| EP-2212294-A1 | PROCESS FOR MAKING GLUCOCORTICOID RECEPTOR LIGANDS | Merck Sharp & Dohme Corp. (US) | 2010-08-04 | — | — | EP | claimed |
| WO-2009054925-A1 | PROCESS FOR MAKING GLUCOCORTICOID RECEPTOR LIGANDS | MERCK & CO., INC. (US) | 2009-04-30 | — | — | WO | claimed |
| EP-0553668-B1 | Process for making arylacrylic acids and their esters | GIVAUDAN ROURE INT (CH) | 1997-04-16 | — | — | EP | claimed |
| US-5274171-A | Preparing an aryllarylic acid or ester using a palladium catalyst | GIVAUDAN-ROURE CORPORATION (US) | 1993-12-28 | — | — | US | claimed |
| EP-0553668-A2 | Process for making arylacrylic acids and their esters | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1993-08-04 | — | — | EP | claimed |
| US-5179224-A | Reacting a styrene compound, carbon monoxide, an alcohol and oxygen using palladium, copper, metal and chlorine compounds which can be regenerated | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1993-01-12 | — | — | US | claimed |
| JP-59021672-A | — | — | None | — | — | JP | disclosed |
| CN-122080083-A | Preparation method of bis (cyanobenzene) palladium dichloride | — | 2026-05-26 | — | — | CN | disclosed |
| CN-122080083-A | Preparation method of bis (cyanobenzene) palladium dichloride | — | 2026-05-26 | — | — | CN | disclosed |
| CN-112321651-A | Preparation method of [1,1' -bis (diphenylphosphino) ferrocene ] palladium dichloride | 浙江微通催化新材料有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-112321649-A | Preparation method of bis (triphenylphosphine) palladium dichloride | 浙江微通催化新材料有限公司 | 2021-02-05 | — | — | CN | disclosed |
| EP-2902529-B1 | SUBSTRATE PROCESSING METHOD FOR SUPPORTING A CATALYST PARTICLE FOR PLATING PROCESS | TANAKA PRECIOUS METAL IND (JP) | 2020-06-24 | — | — | EP | disclosed |
| US-5179224-A | Reacting a styrene compound, carbon monoxide, an alcohol and oxygen using palladium, copper, metal and chlorine compounds which can be regenerated | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1993-01-12 | — | — | US | disclosed |
| EP-0242072-B1 | PREPARATION OF CINNAMATE ESTERS | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-03-13 | — | — | EP | disclosed |
| US-4908472-A | Preparation process of cinnamate ester | MITSUI TOATSU CHEMICALS, INC. (JP) | 1990-03-13 | — | — | US | disclosed |
| EP-0323141-A2 | Preparation of cinnamate esters | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1989-07-05 | — | — | EP | disclosed |
| EP-0242072-A1 | Preparation of cinnamate esters | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1987-10-21 | — | — | EP | disclosed |
| JP-S5921672-A | 4-ALLYL-1,2,4-TRIAZIN-5(2H)-ONE-3-THIONE DERIVATIVE AND ITS PREPARATION | SUMITOMO CHEM CO LTD | 1984-02-03 | — | — | JP | 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-20100228036-A1 | PROCESS FOR MAKING GLUCOCORTICOID RECEPTOR LIGANDS | NR3C1, NR3C2, GRK4 | MAOB 4488/4885MAOA 4122/4885CA2 4673/4885 |
“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.