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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 19/20 | 0.78 |
| ▸ | ADRB2 known ✓ | P07550 | 18/20 | 0.77 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.77 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.77 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.77 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.77 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.77 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.77 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.77 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.77 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.77 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.77 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.77 |
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 | |
|---|---|---|---|---|
| SCHEMBL20322178 | 0.99 | ADRB1 (0.78) | ADRB1ADRB2CHRM2HTR1AADRA2A | |
| SCHEMBL183264 | 0.99 | ADRB1 (0.78) | ADRB1ADRB2CHRM2HTR1AADRA2A | |
| SCHEMBL561089 | 0.99 | ADRB1 (0.78) | ADRB1ADRB2CHRM2HTR1AADRA2A | |
| SCHEMBL564397 | 0.93 | ADRB1 (0.79) | ADRB1ADRB2CHRM2HTR1AADRA2A | |
| SCHEMBL20322228 | 0.93 | ADRB1 (0.77) | ADRB1ADRB2CHRM2HTR1AADRA2A | |
| SCHEMBL2975362 | 0.93 | ADRB1 (0.77) | ADRB1ADRB2CHRM2HTR1AADRA2A | |
| SCHEMBL563685 | 0.92 | ADRB1 (0.74) | ADRB1ADRB2CHRM2HTR1AADRA2A | |
| SCHEMBL564854 | 0.91 | ADRB1 (0.75) | ADRB1ADRB2CHRM2HTR1AADRA2A | |
| SCHEMBL19341729 | 0.90 | ADRB2 (0.86) | ADRB1ADRB2CHRM2HTR1AADRA2A | |
| SCHEMBL564365 | 0.90 | ADRB1 (0.71) | ADRB1ADRB2CHRM2HTR1AADRA2A |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3558954-B1 | IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE | INKE SA (ES) | 2021-11-03 | — | — | EP | disclosed |
| US-10800748-B2 | Process for the manufacture of R-6-hydroxy-8-[1-hydroxy-2-[2-(4-methoxyphenyl)-1,1-dimethylethylaminoethyl]-2H-1,4-benzoxazin-3(4H)-one hydrochloride | INKE, S.A. (ES) | 2020-10-13 | — | — | US | disclosed |
| US-20200062723-A1 | IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE | LABORATORIOS LESVI, S.L. (ES) | 2020-02-27 | — | — | US | disclosed |
| EP-3558954-A1 | IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE | INKE, S.A. (ES) | 2019-10-30 | — | — | EP | disclosed |
| WO-2018114887-A1 | IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE | LABORATORIOS LESVI, S.L. (ES) | 2018-06-28 | — | — | WO | disclosed |
| EP-1917253-B1 | METHOD FOR PRODUCING BETAMIMETICS | BOEHRINGER INGELHEIM INT (DE) | 2015-01-07 | — | — | EP | disclosed |
| US-8420809-B2 | Process for the manufacturing of betamimetics | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-04-16 | — | — | US | disclosed |
| EP-2125759-B1 | METHOD FOR PRODUCING BETAMIMETICS | BOEHRINGER INGELHEIM INT (DE) | 2011-08-03 | — | — | EP | disclosed |
| US-20110124859-A1 | PROCESS FOR THE MANUFACTURING OF BETAMIMETICS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-05-26 | — | — | US | disclosed |
| US-20100022770-A1 | PROCESS FOR THE MANUFACTURING OF BETA MIMETICS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-01-28 | — | — | US | disclosed |
| EP-2125759-A2 | METHOD FOR PRODUCING BETAMIMETICS | Boehringer Ingelheim International GmbH (DE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008090193-A2 | METHOD FOR PRODUCING BETAMIMETICS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-07-31 | — | — | WO | disclosed |
| US-20070088160-A1 | PROCESS FOR THE MANUFACTURING OF BETAMIMETICS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-04-19 | — | — | 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 (5 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-20200062723-A1 | IMPROVED PROCESS FOR THE MANUFACTURE OF R-6-HYDROXY-8-[1-HYDROXY-2-[2-(4-METHOXYPHENYL)-1,1-DIMETHYLETHYLAMINOETHYL]-2H-1,4-BENZOXAZIN-3(4H)-ONE HYDROCHLORIDE | HTR6, HTR4, HAAO | ADRB1 158/4885ADRB2 326/4885CHRM2 342/4885 |
| US-20070088160-A1 | PROCESS FOR THE MANUFACTURING OF BETAMIMETICS | ADRA1D, ADRB1, ADRA1A | ADRB1 2/4885ADRB2 5/4885CHRM2 13/4885 |
| US-10800748-B2 | Process for the manufacture of R-6-hydroxy-8-[1-hydroxy-2-[2-(4-methoxyphenyl)-1,1-dimethylethylaminoethyl]-2H-1,4-benzoxazin-3(4H)-one hydrochloride | HTR6, HTR4, SLC6A6 | ADRB1 146/4885ADRB2 322/4885CHRM2 262/4885 |
| US-20100022770-A1 | PROCESS FOR THE MANUFACTURING OF BETA MIMETICS | ADRB1, ADRA1D, ADRB3 | ADRB1 1/4885ADRB2 5/4885CHRM2 23/4885 |
| US-20110124859-A1 | PROCESS FOR THE MANUFACTURING OF BETAMIMETICS | ADRA1D, ADRB1, ADRA1A | ADRB1 2/4885ADRB2 5/4885CHRM2 13/4885 |
“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.