Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2334192

Cl.Cl.NCC(=O)c1ccncc1

nearest known ligand 0.55

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
GAA known ✓ P10253 1/20 0.42
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
PLOD2 O00469 2/20 0.55
PLOD3 O60568 2/20 0.55
PLOD1 Q02809 2/20 0.55
ALDH1A1 P00352 2/20 0.55
CYP2C9 P11712 1/20 0.55
HPGD P15428 1/20 0.55
HIF1A Q16665 1/20 0.55
KDM4E B2RXH2 2/20 0.54
MPO P05164 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CYP2A6 P11509 1/20 0.54
NAPRT Q6XQN6 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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 SCHEMBL4872565 1.00 CYP1A2 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
SCHEMBL4758241 0.98 CYP1A2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
Trifluoroacetic Acid SCHEMBL30436984 0.85 PLOD2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
Hydrochloric Acid SCHEMBL13738814 0.83 GSK3B (0.42) CYP3A4ALDH1A1HPGDHIF1AKDM4E
SCHEMBL16404441 0.80 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
SCHEMBL10948430 0.78 PLOD2 (0.83) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
SCHEMBL15988710 0.78 CYP2C19 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
Hydrochloric Acid SCHEMBL899290 0.77 GSK3B (0.58) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
Hydrochloric Acid SCHEMBL4898869 0.77 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2D6CYP2C19PLOD2
Hydrochloric Acid SCHEMBL690938 0.76 SMN1; SMN2 (0.48) CYP1A2ALDH1A1HPGDHIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534155-B1 COMPOUNDS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTIONS BIOTA SCIENT MANAGEMENT PTY LTD (AU) 2018-04-11 EP disclosed
US-9540387-B2 Substituted imidazo[1,2-d]pyrrolo[1,2-d]pyrazines for treating respiratory syncytial virus infections BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2017-01-10 US disclosed
US-20160046642-A1 Compounds for Treating Respiratory Syncytial Virus Infections BIOTA SCIENT MANAGEMENT (AU) 2016-02-18 US disclosed
US-9163029-B2 Substituted imidazo[1,2-a]pyrrolo[1,2-d]pyrazines for treating respiratory syncytial virus infections BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2015-10-20 US disclosed
US-20140051697-A1 COMPOUNDS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTIONS BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2014-02-20 US disclosed
US-8604034-B2 Substituted imidazo[1,2-α]pyrrolo[1,2-d]pyrazines for treating respiratory syncytial virus (RSV) infections BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2013-12-10 US disclosed
EP-2534155-A1 COMPOUNDS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTIONS Biota Scientific Management Pty Ltd (AU) 2012-12-19 EP disclosed
US-20110207728-A1 COMPOUNDS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTIONS BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2011-08-25 US disclosed
WO-2011094823-A1 COMPOUNDS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTIONS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-08-11 WO disclosed
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-01 US disclosed
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1831212-A1 NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1699801-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2006065217-A1 NICOTINIC ACETYCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2005061510-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2005-07-07 WO disclosed
WO-1991009856-A1 PHARMACEUTICALLY ACTIVE OXAZOLE COMPOUNDS BEECHAM GROUP PLC (GB) 1991-07-11 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080103170-A1 Nicotinic Acetylcholine Receptor Ligands CHRNG, CHRNE, CHRNA1 GAA 2272/4885CYP1A2 1036/4885CYP3A4 1005/4885
US-20110207728-A1 COMPOUNDS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTIONS FURIN, SQOR, SUCNR1 GAA 491/4885CYP1A2 132/4885CYP3A4 22/4885
US-20070249588-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNB1, CHRNA2 GAA 3879/4885CYP1A2 515/4885CYP3A4 1147/4885
US-20160046642-A1 Compounds for Treating Respiratory Syncytial Virus Infections FURIN, SQOR, SUCNR1 GAA 491/4885CYP1A2 132/4885CYP3A4 22/4885
US-20140051697-A1 COMPOUNDS FOR TREATING RESPIRATORY SYNCYTIAL VIRUS INFECTIONS FURIN, SQOR, SUCNR1 GAA 491/4885CYP1A2 132/4885CYP3A4 22/4885

“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.