Hydrochloric Acid

Hydrochloric Acid

SCHEMBL17005231

CC[C@H](C)OC(=O)C(C)N.Cl

nearest known ligand 0.40

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
▸ CHRM2 known ✓ P08172 2/20 0.33
▸ CHRM4 known ✓ P08173 2/20 0.33
▸ CHRM1 known ✓ P11229 2/20 0.33
▸ CHRM5 known ✓ P08912 1/20 0.33
▸ CHRM3 known ✓ P20309 1/20 0.33
▸ GRIN2D known ✓ O15399 1/20 0.32
▸ GRIN3B known ✓ O60391 1/20 0.32
▸ GRIN1 known ✓ Q05586 1/20 0.32
▸ GRIN2A known ✓ Q12879 1/20 0.32
▸ GRIN2B known ✓ Q13224 1/20 0.32
▸ GRIN2C known ✓ Q14957 1/20 0.32
▸ GRIN3A known ✓ Q8TCU5 1/20 0.32
▸ CHRNB4 known ✓ P30926 1/20 0.31
▸ CHRNA3 known ✓ P32297 1/20 0.31
▸ CA2 known ✓ P00918 1/20 0.31
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 3/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ FAAH O00519 1/20 0.33

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 SCHEMBL15574844 1.00 MAPT (0.40) MAPTLMNACYP2C9CHRM2CHRM4
Hydrochloric Acid SCHEMBL15574846 1.00 MAPT (0.40) MAPTLMNACYP2C9CHRM2CHRM4
Hydrochloric Acid SCHEMBL17005232 1.00 MAPT (0.40) MAPTLMNACYP2C9CHRM2CHRM4
Hydrochloric Acid SCHEMBL15574845 1.00 MAPT (0.40) MAPTLMNACYP2C9CHRM2CHRM4
SCHEMBL14887474 0.98 MAPT (0.41) MAPTLMNACYP2C9CHRM2CHRM4
SCHEMBL15574890 0.98 MAPT (0.41) MAPTLMNACYP2C9CHRM2CHRM4
SCHEMBL14989440 0.98 MAPT (0.41) MAPTLMNACYP2C9CHRM2CHRM4
SCHEMBL14887353 0.98 MAPT (0.41) MAPTLMNACYP2C9CHRM2CHRM4
SCHEMBL14989441 0.98 MAPT (0.41) MAPTLMNACYP2C9CHRM2CHRM4
SCHEMBL14887223 0.98 MAPT (0.41) MAPTLMNACYP2C9CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2890704-B1 2'-ETHYNYL NUCLEOSIDE DERIVATIVES FOR TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2018-02-28 — — EP disclosed
US-9814739-B2 2′-ethynyl nucleoside derivatives for treatment of viral infections NOVARTIS AG (CH) 2017-11-14 — — US disclosed
US-20170112868-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections NOVARTIS AG (CH) 2017-04-27 — — US disclosed
US-9556216-B2 2′-Ethynyl nucleoside derivatives for treatment of viral infections NOVARTIS AG (CH) 2017-01-31 — — US disclosed
US-20150232501-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections NOVARTIS AG (CH) 2015-08-20 — — 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 (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-20170112868-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections EIF2AK2, NEK5, ERN2 CHRM2 1222/4885CHRM4 1626/4885CHRM1 1151/4885
US-20150232501-A1 2'-Ethynyl Nucleoside Derivatives for Treatment of Viral Infections EIF2AK2, ERN2, NEK5 CHRM2 1262/4885CHRM4 1673/4885CHRM1 1157/4885

“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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