Hydrochloric Acid

Hydrochloric Acid

SCHEMBL20548540

CC(N)C(=O)OC1CC1.Cl

nearest known ligand 0.38

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
CYP19A1 known ✓ P11511 1/20 0.38
CHRM2 known ✓ P08172 3/20 0.34
CHRM1 known ✓ P11229 3/20 0.34
CHRM3 known ✓ P20309 3/20 0.34
CHRM4 known ✓ P08173 2/20 0.34
CHRM5 known ✓ P08912 2/20 0.34
GAA known ✓ P10253 1/20 0.32
ADRA1A known ✓ P35348 1/20 0.32
HTR3A known ✓ P46098 1/20 0.32
KCNH2 known ✓ Q12809 1/20 0.32
DPP4 known ✓ P27487 2/20 0.31
LMNA P02545 2/20 0.34
THRB P10828 2/20 0.34
BLM P54132 2/20 0.34
PMP22 Q01453 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
MTOR P42345 1/20 0.34

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 SCHEMBL20548542 1.00 CYP19A1 (0.38) CYP19A1CHRM2CHRM1CHRM3LMNA
SCHEMBL19706447 0.98
SCHEMBL154764 0.98
SCHEMBL14095422 0.98 CYP19A1 (0.39) CYP19A1CHRM2CHRM1CHRM3LMNA
Hydrochloric Acid SCHEMBL6822678 0.92 CYP19A1 (0.37) CYP19A1CHRM2CHRM1CHRM3LMNA
Hydrochloric Acid SCHEMBL5281324 0.91 CYP19A1 (0.46) CYP19A1CYP2D6GAATSHR
Hydrochloric Acid SCHEMBL20586240 0.91 CYP19A1 (0.46) CYP19A1CYP2D6GAATSHR
Hydrochloric Acid SCHEMBL217045 0.91 CYP19A1 (0.46) CYP19A1CYP2D6GAATSHR
Hydrochloric Acid SCHEMBL18492024 0.91 CYP19A1 (0.42) CYP19A1CHRM2CHRM1CHRM3LMNA
Hydrochloric Acid SCHEMBL5285959 0.91 CYP19A1 (0.42) CYP19A1CHRM2CHRM1CHRM3LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110382514-B Prodrugs of HCV NS5B polymerase inhibitors and methods of making and using the same 亚历山大·瓦西里耶维奇·伊瓦切恩科 2023-06-02 CN disclosed
CN-115996928-A 1' -cyanonucleoside analogs and uses thereof 吉利德科学公司 2023-04-21 CN disclosed
US-10683315-B2 Prodrug of an HCV NS5B polymerase inhibitor and method of production and application thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2020-06-16 US disclosed
EP-3398954-B1 PRODRUG OF HCV NS5B POLYMERASE INHIBITOR AND METHOD FOR PRODUCING AND USING SAME ALLA CHEM LLC (US) 2020-06-10 EP disclosed
US-20200079814-A1 Nucleotides comprising an N-[(S)-1-cyclobutoxycarbonyl]phosphoramidate moiety and analogs and application thereof IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2020-03-12 US disclosed
CN-110382514-A Prodrugs of HCV NS5B polymerase inhibitors and methods of making and using the same 亚历山大·瓦西里耶维奇·伊瓦切恩科 2019-10-25 CN disclosed
EP-3473636-A1 NUCLEOTIDES CONTAINING AN N-[(S)-1-CYCLOBUTOXYCARBONYL]PHOSPHORAMIDATE FRAGMENT, ANALOGS THEREOF, AND USE THEREOF Alla Chem, LLC (US) 2019-04-24 EP disclosed
EP-3398954-A1 PRODRUG OF HCV NS5B POLYMERASE INHIBITOR AND METHOD FOR PRODUCING AND USING SAME Alla Chem, LLC (US) 2018-11-07 EP 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 (2 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-20200079814-A1 Nucleotides comprising an N-[(S)-1-cyclobutoxycarbonyl]phosphoramidate moiety and analogs and application thereof NSUN2, PNP, HCCS CYP19A1 991/4885CHRM2 3948/4885CHRM1 2333/4885
US-10683315-B2 Prodrug of an HCV NS5B polymerase inhibitor and method of production and application thereof PNP, CYP7A1, UGT1A1 CYP19A1 402/4885CHRM2 4788/4885CHRM1 4547/4885

“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.