Hydrochloric Acid

Hydrochloric Acid

SCHEMBL230409

C#CCOc1ccc(CC(N)C(=O)O)cc1.Cl

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 known ✓ P05106 1/20 0.58
▸ ITGA2B known ✓ P08514 1/20 0.58
▸ PTGS1 known ✓ P23219 3/20 0.51
▸ CA2 known ✓ P00918 1/20 0.45
▸ EGFR known ✓ P00533 1/20 0.45
▸ LCK known ✓ P06239 1/20 0.45
▸ HTR2A known ✓ P28223 1/20 0.45
▸ PTGS2 known ✓ P35354 1/20 0.45
▸ CHRM2 known ✓ P08172 1/20 0.43
▸ ADRA2A known ✓ P08913 1/20 0.43
▸ CHRM1 known ✓ P11229 1/20 0.43
▸ ACHE known ✓ P22303 1/20 0.43
▸ OPRM1 known ✓ P35372 1/20 0.43
▸ DRD3 known ✓ P35462 1/20 0.43
▸ SLC6A3 known ✓ Q01959 1/20 0.43
▸ KCNH2 known ✓ Q12809 1/20 0.43
▸ HDAC8 known ✓ Q9BY41 1/20 0.43
▸ SLC7A5 Q01650 4/20 0.53
▸ PTPN1 P18031 1/20 0.52
▸ ALPI P09923 1/20 0.51

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL230410 1.00 ITGB3 (0.58) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL229602 0.98 ITGB3 (0.59) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL229603 0.98 ITGB3 (0.59) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL29141465 0.93 ITGB3 (0.54) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL10001633 0.88 CA12 (0.47) ITGB3ITGA2BSLC7A5PTPN1PPARA
SCHEMBL4865204 0.87 CA12 (0.46) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL2802898 0.87 CA12 (0.46) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL28539110 0.86 SLC1A1 (0.58) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL28539108 0.86 SLC1A1 (0.58) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL2742844 0.85 CA12 (0.45) ITGB3ITGA2BSLC7A5PTPN1PTGS1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004183-A1 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2012-01-05 — — US claimed
EP-1636340-A4 UNNATURAL REACTIVE AMINO ACID GENETIC CODE ADDITIONS SCRIPPS RESEARCH INST (US) 2009-02-11 — — EP claimed
US-20060246509-A1 protein containing an amino acid that carries an azido or alkynyl group for conjugation to a second molecule such as polymer, label or drug by a [3+2] cycloaddition; translation biochemistry in eukaryotic cells; gene expression inhibitors THE SCRIPPS RESEARCH INSTITUTE 2006-11-02 — — US claimed
EP-1636340-A2 UNNATURAL REACTIVE AMINO ACID GENETIC CODE ADDITIONS The Scripps Research Institute (US) 2006-03-22 — — EP claimed
WO-2005003294-A2 UNNATURAL REACTIVE AMINO ACID GENETIC CODE ADDITIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-01-13 — — WO claimed
US-20040265952-A1 protein containing a modified amino acid that carries an azido or alkynyl group for conjugation to a second molecule such as polymer, label or drug that carries an alkynyl or azido group; translation biochemistry in eukaryotic cells; gene expression inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2004-12-30 — — US claimed
CN-110730787-B Modified microcystins and arthrosrottoxins 辛利斯生物制药有限责任公司 2023-11-03 — — CN disclosed
CN-110730787-A Modified microcystins and nodulotoxins 赛安诺生物技术有限责任公司 2020-01-24 — — CN disclosed
EP-2793027-B1 Unnatural reactive amino acid genetic code additions SCRIPPS RESEARCH INST (US) 2019-11-13 — — EP disclosed
US-9797908-B2 Unnatural reactive amino acid genetic code additions THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-24 — — US disclosed
US-9580721-B2 Expanding the eukaryotic genetic code The Scripps Reserach Institute (US) 2017-02-28 — — US disclosed
EP-2410331-B1 Aminoacyl-tRNA synthetase for aminoacylation tRNA with unnatural amino acids SCRIPPS RESEARCH INST (US) 2015-09-23 — — EP disclosed
EP-2378288-B1 Unnatural reactive amino acid genetic code additions SCRIPPS RESEARCH INST (US) 2015-09-09 — — EP disclosed
US-20060246509-A1 protein containing an amino acid that carries an azido or alkynyl group for conjugation to a second molecule such as polymer, label or drug by a [3+2] cycloaddition; translation biochemistry in eukaryotic cells; gene expression inhibitors THE SCRIPPS RESEARCH INSTITUTE 2006-11-02 — — US disclosed
EP-1636340-A2 UNNATURAL REACTIVE AMINO ACID GENETIC CODE ADDITIONS The Scripps Research Institute (US) 2006-03-22 — — EP disclosed
EP-1613735-A2 EXPANDING THE EUKARYOTIC GENETIC CODE The Scripps Research Institute (US) 2006-01-11 — — EP disclosed
WO-2005003294-A2 UNNATURAL REACTIVE AMINO ACID GENETIC CODE ADDITIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-01-13 — — WO disclosed
US-20050009049-A1 Expanding the eukaryotic genetic code THE SCRIPPS RESEARCH INSTITUTE (US) 2005-01-13 — — US disclosed
US-20040265952-A1 protein containing a modified amino acid that carries an azido or alkynyl group for conjugation to a second molecule such as polymer, label or drug that carries an alkynyl or azido group; translation biochemistry in eukaryotic cells; gene expression inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2004-12-30 — — US disclosed
WO-2004094593-A2 EXPANDING THE EUKARYOTIC GENETIC CODE THE SCRIPPS RESEARCH INSTITUTE (US) 2004-11-04 — — 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050009049-A1 Expanding the eukaryotic genetic code NSUN3, AARS1, TRMT1 ITGB3 4233/4885ITGA2B 4566/4885PTGS1 3470/4885
US-20060246509-A1 protein containing an amino acid that carries an azido or alkynyl group for conjugation to a second molecule such as polymer, label or drug by a [3+2] cycloaddition; translation biochemistry in eukaryotic cells; gene expression inhibitors AARS1, ASNS, KARS1 ITGB3 2991/4885ITGA2B 3834/4885PTGS1 4151/4885
US-20120004183-A1 Unnatural reactive amino acid genetic code additions AARS1, NSUN3, OSGEP ITGB3 4006/4885ITGA2B 4302/4885PTGS1 2324/4885

“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.

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