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 | 0.56 |
| ▸ | MAOA known ✓ | P21397 | 3/20 | 0.56 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.48 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.93 |
| ▸ | APP | P05067 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 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 SCHEMBL16899036 | 1.00 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL2904373 | 1.00 | — | — | |
| Benzonitrile SCHEMBL506879 | 1.00 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL27506476 | 1.00 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Hydrochloric Acid SCHEMBL7996155 | 1.00 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL3852661 | 1.00 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL17107360 | 1.00 | TSHR (0.93) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL3082428 | 0.97 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL3650085 | 0.97 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 | |
| Benzonitrile SCHEMBL3056732 | 0.97 | TSHR (0.88) | TSHRMAOBMAOAAPPALDH1A1 |
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 80 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110075917-B | Supported catalyst, preparation method and application thereof | 万华化学集团股份有限公司 | 2022-02-18 | — | — | CN | claimed |
| US-20080319244-A1 | Method for the Production of (E,Z)-7,8-Cyclohexadecene-1-one | SYMRISE GMBH & CO. KG (DE) | 2008-12-25 | — | — | US | claimed |
| EP-0962434-B1 | Process for the preparation of aromatic olefins using palladium catalysts containing phosphite ligands | DEGUSSA (DE) | 2002-11-27 | — | — | EP | claimed |
| CN-120051470-A | Azaquinazoline compounds and methods of use | 依安彼克医疗有限公司 | 2025-05-27 | — | — | CN | disclosed |
| US-11702473-B2 | Site-specific antibody-drug conjugates | MEDIMMUNE LIMITED (GB) | 2023-07-18 | — | — | US | disclosed |
| CN-114249682-B | 1, 2-glycol ester compound and preparation method thereof | 中国科学院上海有机化学研究所 | 2023-07-07 | — | — | CN | disclosed |
| US-20200399365-A1 | SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES | OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. | 2020-12-24 | — | — | US | disclosed |
| EP-3054990-B1 | PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF | MEDIMMUNE LTD (GB) | 2019-03-27 | — | — | EP | disclosed |
| EP-3054983-B1 | PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES | MEDIMMUNE LTD (GB) | 2019-03-20 | — | — | EP | disclosed |
| EP-3054986-B1 | PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES | MEDIMMUNE LTD (GB) | 2019-03-20 | — | — | EP | disclosed |
| EP-3054985-B1 | PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES | MEDIMMUNE LTD (GB) | 2018-12-26 | — | — | EP | disclosed |
| US-20120245348-A1 | New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and their Use in Catalytic Reactions | PLENIO HERBERT (DE) | 2012-09-27 | — | — | US | disclosed |
| US-20090253907-A1 | CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS | EVONIK DEGUSSA GMBH (DE) | 2009-10-08 | — | — | US | disclosed |
| US-20080319244-A1 | Method for the Production of (E,Z)-7,8-Cyclohexadecene-1-one | SYMRISE GMBH & CO. KG (DE) | 2008-12-25 | — | — | US | disclosed |
| EP-1894938-A1 | New cyclopentadienyl, indenyl or fluorenyl substituted phosphine compounds and their use in catalytic reactions | Evonik Degussa GmbH (DE) | 2008-03-05 | — | — | EP | disclosed |
| EP-1771404-A1 | IMPROVED METHOD FOR THE PRODUCTION OF (E,Z)-7,8-CYCLOHEXADECENE-1-ON | Symrise GmbH & Co. KG (DE) | 2007-04-11 | — | — | EP | disclosed |
| US-7148176-B2 | Production of novel phosphane ligands and use in catalytical reactions | DEGUSSA AG (DE) | 2006-12-12 | — | — | US | disclosed |
| US-20060058178-A1 | Aromatic compounds containing nitrogen and p- functionalized amines, the production thereof and their use in catalytic reactions | DEGUSSA AG (DE) | 2006-03-16 | — | — | US | disclosed |
| WO-2006008286-A1 | IMPROVED METHOD FOR THE PRODUCTION OF (E,Z)-7,8-CYCLOHEXADECENE-1-ON | SYMRISE GMBH & CO. KG (DE) | 2006-01-26 | — | — | WO | disclosed |
| US-20040068131-A1 | (adamantyl)nP(alkyl)m(1a); (adamantyl)o(Alkyl)qP (alkylene')P(adamantyl)r(alkyl)s , wherein adamantyl bonded to phosphorus atom in position 1, or 2, useful for refining halogenoaromatics | EVONIK DEGUSSA GMBH (DE) | 2004-04-08 | — | — | 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 (7 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-20200399365-A1 | SITE-SPECIFIC ANTIBODY-DRUG CONJUGATES | SBDS, DCTD, DRD1 | MAOB 892/4885MAOA 1705/4885CA2 2921/4885 |
| US-20040068131-A1 | (adamantyl)nP(alkyl)m(1a); (adamantyl)o(Alkyl)qP (alkylene')P(adamantyl)r(alkyl)s , wherein adamantyl bonded to phosphorus atom in position 1, or 2, useful for refining halogenoaromatics | NAPEPLD, NAPA, APBA1 | MAOB 426/4885MAOA 201/4885CA2 1295/4885 |
| US-20080319244-A1 | Method for the Production of (E,Z)-7,8-Cyclohexadecene-1-one | CYP8B1, CYP51A1, CYP2A7 | MAOB 582/4885MAOA 569/4885CA2 4165/4885 |
| US-20060058178-A1 | Aromatic compounds containing nitrogen and p- functionalized amines, the production thereof and their use in catalytic reactions | PAH, PNMT, TYR | MAOB 17/4885MAOA 12/4885CA2 2473/4885 |
| US-20120245348-A1 | New Cyclopentadienyl, Indenyl or Fluorenyl Substituted Phosphine Compounds and their Use in Catalytic Reactions | PHOSPHO1, PPP4C, INPP5B | MAOB 1029/4885MAOA 827/4885CA2 2651/4885 |
| US-11702473-B2 | Site-specific antibody-drug conjugates | SBDS, DCTD, DRD1 | MAOB 892/4885MAOA 1705/4885CA2 2921/4885 |
| US-20090253907-A1 | CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS | CPS1, CYCS, RRS1 | MAOB 2050/4885MAOA 2142/4885CA2 952/4885 |
“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.