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 SCHEMBL3082428 | 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 118 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118005546-A | Method for synthesizing thiocarboxylate based on unsaturated hydrocarbon | 安徽农业大学 | 2024-05-10 | — | — | CN | claimed |
| CN-116143598-A | Method for synthesizing alpha, beta-unsaturated ketone through palladium-catalyzed carbonylation Suzuki reaction | 怀化学院 | 2023-05-23 | — | — | CN | claimed |
| US-7186870-B2 | Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds | PFIZER INC (US) | 2007-03-06 | — | — | US | claimed |
| US-7091372-B2 | Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds | PFIZER INC (US) | 2006-08-15 | — | — | US | claimed |
| US-20060079707-A1 | Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds | PFIZER INC | 2006-04-13 | — | — | US | claimed |
| US-20030060624-A1 | Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds | PFIZER INC. | 2003-03-27 | — | — | US | claimed |
| JP-5032678-A | — | — | None | — | — | JP | disclosed |
| JP-61186250-A | — | — | None | — | — | JP | disclosed |
| EP-4634162-A1 | BENZIMIDAZOLE DERIVATIVES | Syngenta Crop Protection AG (CH) | 2025-10-22 | — | — | EP | disclosed |
| US-12344569-B2 | Process for making a conjugated diene from an allyl alcohol | GIVAUDAN SA (CH) | 2025-07-01 | — | — | US | disclosed |
| US-12162001-B2 | Magnetic-nanoparticle-supported catalyst and method of making | KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) | 2024-12-10 | — | — | US | disclosed |
| US-12157114-B2 | Method for making Fe3O4 magnetic catalysts | KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) | 2024-12-03 | — | — | US | disclosed |
| US-20240309012-A1 | ISOQUINOLINE COMPOUND, MANUFACTURING METHOD THEREFOR, AND APPLICATION THEREOF | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2024-09-19 | — | — | US | disclosed |
| US-5108823-A | Pretreating with oxidizing agent | BAYER AKTIENGESELLSCHAFT (DE) | 1992-04-28 | — | — | US | disclosed |
| US-4709054-A | REACTION OF AROMATIC ACYL HALIDE AND HALOGENATED POLYSILANE, TRANSITION METAL CATALYST | GENERAL ELECTRIC COMPANY (US) | 1987-11-24 | — | — | US | disclosed |
| JP-S61186250-A | METHOD FOR ACTIVATION OF SURFACE OF GLASS FIBER | NITTO BOSEKI CO LTD | 1986-08-19 | — | — | JP | disclosed |
| US-4384981-A | COORDINATION, INTERCALATION COMPOUND CONTAINING GROUP EIGHT METAL OR COMPOUND AND AN ORGANIC TETRAVALENT METALLIC COMPOUNDS | OCCIDENTAL RESEARCH CORPORATION (US) | 1983-05-24 | — | — | US | disclosed |
| US-4339595-A | Hexa(meta-,para-carboxyphenyl)benzene compounds | STANDARD OIL COMPANY (INDIANA) (US) | 1982-07-13 | — | — | US | disclosed |
| US-4044050-A | Isomerization of propenyl esters | CHEVRON RESEARCH COMPANY (US) | 1977-08-23 | — | — | US | disclosed |
| US-4027084-A | FROM DIPHOSPHINE ALKALI ALCOHOLATES AND A HALOGENATED POLYMER | SOCIETE NATIONALE DES PETROLES D'AQUITAINE (FR) | 1977-05-31 | — | — | 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 (4 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-20240309012-A1 | ISOQUINOLINE COMPOUND, MANUFACTURING METHOD THEREFOR, AND APPLICATION THEREOF | FURIN, REN, AQP1 | MAOB 3766/4885MAOA 3918/4885CA2 3311/4885 |
| US-12344569-B2 | Process for making a conjugated diene from an allyl alcohol | ADH1C, ADH1A, ADH5 | MAOB 1192/4885MAOA 1155/4885CA2 2994/4885 |
| US-20060079707-A1 | Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds | CYP1B1, AZI2, CYP1A1 | MAOB 49/4885MAOA 129/4885CA2 4338/4885 |
| US-20030060624-A1 | Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds | INTS6, CYP1B1, CYP1A2 | MAOB 66/4885MAOA 143/4885CA2 4092/4885 |
“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.