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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA known ✓ | P21397 | 3/20 | 0.41 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.40 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.39 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.39 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.39 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.39 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.39 |
| ▸ | HCN4 known ✓ | Q9Y3Q4 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KCNN1 | Q92952 | 1/20 | 0.39 |
| ▸ | KCNN2 | Q9H2S1 | 1/20 | 0.39 |
| ▸ | KCNN3 | Q9UGI6 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30626131 | 1.00 | NQO2 (0.42) | NQO2MTNR1AMTNR1BMAOAHTR2A | |
| Hydrochloric Acid SCHEMBL547431 | 1.00 | NQO2 (0.42) | NQO2MTNR1AMTNR1BMAOAHTR2A | |
| Hydrochloric Acid SCHEMBL29693806 | 1.00 | NQO2 (0.42) | NQO2MTNR1AMTNR1BMAOAHTR2A | |
| Hydrochloric Acid SCHEMBL547432 | 1.00 | NQO2 (0.42) | NQO2MTNR1AMTNR1BMAOAHTR2A | |
| Hydrochloric Acid SCHEMBL29693778 | 1.00 | NQO2 (0.42) | NQO2MTNR1AMTNR1BMAOAHTR2A | |
| SCHEMBL7900037 | 0.98 | NQO2 (0.43) | NQO2MTNR1AMTNR1BMAOAHTR2A | |
| SCHEMBL224105 | 0.98 | NQO2 (0.43) | NQO2MTNR1AMTNR1BMAOAHTR2A | |
| SCHEMBL3143084 | 0.98 | NQO2 (0.43) | NQO2MTNR1AMTNR1BMAOAHTR2A | |
| SCHEMBL29561955 | 0.98 | NQO2 (0.43) | NQO2MTNR1AMTNR1BMAOAHTR2A | |
| SCHEMBL221006 | 0.98 | NQO2 (0.43) | NQO2MTNR1AMTNR1BMAOAHTR2A |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115286577-B | Preparation method of ivabradine hydrochloride and intermediate thereof | 江苏永安制药有限公司 | 2023-10-20 | — | — | CN | claimed |
| CN-114324714-B | Method for detecting (1S) -4, 5-dimethoxy-1- [ (methylamino) methyl ] benzocyclobutane hydrochloride | 海南鑫开源医药科技有限公司 | 2023-06-30 | — | — | CN | claimed |
| CN-115286577-A | Preparation method of ivabradine hydrochloride and intermediate thereof | 江苏永安制药有限公司 | 2022-11-04 | — | — | CN | claimed |
| CN-114324714-A | Method for detecting (1S) -4, 5-dimethoxy-1- [ (methylamino) methyl ] benzocyclobutane hydrochloride | 海南鑫开源医药科技有限公司 | 2022-04-12 | — | — | CN | claimed |
| CN-113419028-A | Method for detecting content of intermediate in ivabradine | 海南鑫开源医药科技有限公司 | 2021-09-21 | — | — | CN | claimed |
| US-9840469-B2 | Polymorphic forms of ivabradine hydrochloride | CADILA HEALTHCARE LIMITED (IN) | 2017-12-12 | — | — | US | claimed |
| US-20170217898-A1 | POLYMORPHIC FORMS OF IVABRADINE HYDROCHLORIDE | CADILA HEALTHCARE LTD (IN) | 2017-08-03 | — | — | US | claimed |
| CN-104829470-A | Set of intermediate compounds used for synthesis of Ivabradine, and applications thereof | JIANGSU YUTIAN PHARMACEUTICAL TECHNOLOGY CO LTD | 2015-08-12 | — | — | CN | claimed |
| CN-104557573-A | Preparation method of (1S)-4,5-dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride | SHANGHAI TIANCI BIOLOG VALLEY BIOLOG ENGINEERING CO LTD | 2015-04-29 | — | — | CN | claimed |
| CN-115286577-B | Preparation method of ivabradine hydrochloride and intermediate thereof | 江苏永安制药有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-114324714-B | Method for detecting (1S) -4, 5-dimethoxy-1- [ (methylamino) methyl ] benzocyclobutane hydrochloride | 海南鑫开源医药科技有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-114324714-B | Method for detecting (1S) -4, 5-dimethoxy-1- [ (methylamino) methyl ] benzocyclobutane hydrochloride | 海南鑫开源医药科技有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-114324714-B | Method for detecting (1S) -4, 5-dimethoxy-1- [ (methylamino) methyl ] benzocyclobutane hydrochloride | 海南鑫开源医药科技有限公司 | 2023-06-30 | — | — | CN | disclosed |
| CN-115286577-A | Preparation method of ivabradine hydrochloride and intermediate thereof | 江苏永安制药有限公司 | 2022-11-04 | — | — | CN | disclosed |
| WO-2011138625-A1 | INDUSTRIAL PROCESS FOR THE SYNTHESIS OF IVABRADINE SALTS | RICHTER GEDEON NYRT. (HU) | 2011-11-10 | — | — | WO | disclosed |
| US-20100249397-A1 | Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid | LES LABORATOIRES SERVIER (FR) | 2010-09-30 | — | — | US | disclosed |
| CN-1332933-C | Process for the synthesis of (is)-4,5-dimethoxy-1-(methylaminomethyl)-benzocyclobutane and uses thereof | SERVIER LAB (FR) | 2007-08-22 | — | — | CN | disclosed |
| US-6982350-B2 | Process for the synthesis of (1S)-4,5-dimethoxy-1-(methylaminomethyl)-benzocyclobutane and addition salts thereof, and to the application thereof in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid | LES LABORATOIRES SERVIER (FR) | 2006-01-03 | — | — | US | disclosed |
| US-20050261376-A1 | PROCESS FOR THE SYNTHESIS OF (IS)-4,5-DIMETHOXY-1-(METHYLAMINOMETHYL)-BENZOCYCLOBUTANE AND ADDITION SALTS THEREOF, AND TO THE APPLICATION THEREOF IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID | LES LABORATOIRES SERVIER (FR) | 2005-11-24 | — | — | US | disclosed |
| CN-1699331-A | Process for the synthesis of (is)-4,5-dimethoxy-1-(methylaminomethyl)-benzocyclobutane and uses thereof | SERVIER LAB (FR) | 2005-11-23 | — | — | CN | 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-20100249397-A1 | Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid | CYP4F2, CYP2F1, CYP2D6 | MAOA 319/4885HTR2A 1651/4885HTR2C 1801/4885 |
| US-20050261376-A1 | PROCESS FOR THE SYNTHESIS OF (IS)-4,5-DIMETHOXY-1-(METHYLAMINOMETHYL)-BENZOCYCLOBUTANE AND ADDITION SALTS THEREOF, AND TO THE APPLICATION THEREOF IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID | CYP4B1, CYP4F2, CYP2S1 | MAOA 750/4885HTR2A 1682/4885HTR2C 957/4885 |
| US-20170217898-A1 | POLYMORPHIC FORMS OF IVABRADINE HYDROCHLORIDE | CYP4F3, CYP4F2, SCN5A | MAOA 616/4885HTR2A 659/4885HTR2C 602/4885 |
“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.