Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 2/20 | 0.33 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.32 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14173377 | 0.98 | TSHR (0.41) | TSHRTP53KMT2AKDM4ECYP2C19 | |
| SCHEMBL24125782 | 0.87 | TSHR (0.38) | TSHRTP53KMT2AKDM4ECYP2C19 | |
| Hydrochloric Acid SCHEMBL25273435 | 0.81 | OPRM1 (0.42) | TSHRKMT2AKDM4ECYP2C19MEN1 | |
| SCHEMBL14182153 | 0.81 | TSHR (0.44) | TSHRTP53KMT2AKDM4EMEN1 | |
| SCHEMBL25447009 | 0.79 | KDM4E (0.36) | KMT2AKDM4EOPRM1SMYD3 | |
| SCHEMBL22478830 | 0.79 | CYP2C19 (0.53) | TSHRTP53CYP2C19LMNAHSD17B10 | |
| SCHEMBL4113341 | 0.79 | OPRM1 (0.43) | TSHRKMT2AKDM4ECYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL28502979 | 0.79 | TP53 (0.38) | TSHRTP53KMT2AKDM4EMEN1 | |
| SCHEMBL14173382 | 0.78 | TP53 (0.40) | TSHRTP53KMT2AKDM4EOPRM1 | |
| SCHEMBL23037193 | 0.78 | CYP2C19 (0.34) | KMT2AKDM4ECYP2C19LMNA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1097928-B1 | 5-(2,3-Dialkoxyphenyl)-4,1-benzoxazepin-2-ones as anti-hyperlipidemics | TAKEDA PHARMACEUTICAL (JP) | 2008-07-16 | — | — | EP | disclosed |
| US-20080153801-A1 | Benzoxazepine compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2008-06-26 | — | — | US | disclosed |
| US-20070117787-A1 | Benzoxazepine compounds, their production and use | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2007-05-24 | — | — | US | disclosed |
| US-20040072819-A1 | Benzoxazepine compounds, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. | 2004-04-15 | — | — | US | disclosed |
| US-6613761-B1 | (3R,5S)-N- methanesulfonyl-7-chloro-5-(2,3-dimethoxyphenyl) -1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-1,2,3,5-tetrahydro-4, 1-benzoxazepine-3-acetamide, used as antilipemic agents and enzyme inhibitors | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2003-09-02 | — | — | US | disclosed |
| EP-0862562-B1 | BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-07-04 | — | — | EP | disclosed |
| EP-1097928-A1 | 5-(2,3-Dialkoxyphenyl)-4,1-benzoxazepin-2-ones as anti-hyperlipidemics | Takeda Chemical Industries, Ltd. (JP) | 2001-05-09 | — | — | EP | disclosed |
| US-6110909-A | SQUALENE SYNTHETASE INHIBITING ANTILIPEMIC AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-08-29 | — | — | US | disclosed |
| EP-0862562-A1 | BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS | Takeda Chemical Industries, Ltd. (JP) | 1998-09-09 | — | — | EP | disclosed |
| WO-1997010224-A1 | BENZOXAZEPINE COMPOUNDS, THEIR PRODUCTION AND USE AS LIPID LOWERING AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-03-20 | — | — | WO | 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 (3 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-20070117787-A1 | Benzoxazepine compounds, their production and use | NR1H2, APOB, CETP | OPRM1 1209/4885GAA 1269/4885SIGMAR1 991/4885 |
| US-20040072819-A1 | Benzoxazepine compounds, their production and use | CES1, CETP, CYP46A1 | OPRM1 2020/4885GAA 640/4885SIGMAR1 1953/4885 |
| US-20080153801-A1 | Benzoxazepine compounds, their production and use | CETP, PCSK9, LPL | OPRM1 2114/4885GAA 605/4885SIGMAR1 1916/4885 |
“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.