Hydrochloric Acid

Hydrochloric Acid

SCHEMBL317256

CC(N)(CCl)C(=O)c1ccccc1.Cl

nearest known ligand 0.44

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
SRC known ✓ P12931 1/20 0.41
PARP1 known ✓ P09874 1/20 0.39
CES1 P23141 6/20 0.44
ALDH1A1 P00352 3/20 0.44
HIF1A Q16665 3/20 0.44
MAPK1 P28482 2/20 0.44
TRPA1 O75762 1/20 0.44
GSK3B P49841 1/20 0.44
CYP2C19 P33261 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 3/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 2/20 0.39
BLM P54132 2/20 0.39
RECQL P46063 1/20 0.39
PMP22 Q01453 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL3128833 0.98 CES1 (0.45) CES1ALDH1A1HIF1AMAPK1TRPA1
SCHEMBL9076470 0.81 CES1 (0.47) CES1ALDH1A1MAPK1SRCCYP2C19
Hydrochloric Acid SCHEMBL758628 0.81 CES1 (0.47) CES1ALDH1A1HIF1AMAPK1TRPA1
SCHEMBL9559864 0.79 CES1 (0.45) CES1ALDH1A1HIF1AMAPK1GSK3B
SCHEMBL3345472 0.79 CYP2C19 (0.50) CES1ALDH1A1HIF1AMAPK1SRC
SCHEMBL5695380 0.79 CES1 (0.45) CES1ALDH1A1HIF1AMAPK1SRC
SCHEMBL3132247 0.79 CES1 (0.48) CES1ALDH1A1HIF1AMAPK1TRPA1
SCHEMBL10876359 0.79 CES1 (0.48) CES1ALDH1A1HIF1AMAPK1TRPA1
SCHEMBL3128812 0.78 CES1 (0.44) CES1ALDH1A1MAPK1SRCCYP2C19
SCHEMBL7637171 0.77 SRC (0.47) CES1ALDH1A1HIF1AMAPK1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093241-B2 Acid amide derivatives, process for their production and pesticides containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-01-10 US disclosed
EP-1256569-B1 PHENACYLAMINE DERIVATIVES, PRODUCTION THEREOF AND PEST CONTROLLERS CONTAINING THE DERIVATIVES ISHIHARA SANGYO KAISHA (JP) 2010-07-07 EP disclosed
US-20100093707-A1 ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-04-15 US disclosed
US-7683096-B2 Acid amide derivatives, process for producing these, and pest control agent containing these ISHIHARA SANGYO KAISHA, LTD. (JP) 2010-03-23 US disclosed
US-7439366-B2 Phenacylamine derivatives, process for their production and pesticides containing them ISHIHARA SANGYO KAISHA LTD. (JP) 2008-10-21 US disclosed
US-20040254237-A1 Acid amide derivatives, process for producing these, and pest agent containing these ISHIHARA SANGYO KAISHA LTD. (JP) 2004-12-16 US disclosed
EP-1428817-A1 ACID AMIDE DERIVATIVES, PROCESS FOR PRODUCING THESE, AND PEST CONTROL AGENT CONTAINING THESE ISHIHARA SANGYO KAISHA, LTD. (JP) 2004-06-16 EP disclosed
US-20030153464-A1 Phenacylamin derivatives, production thereof and pest controllers containing the derivatives ISHIHARA SANGYO KAISHA LTD. (JP) 2003-08-14 US disclosed
EP-1256569-A1 PHENACYLAMINE DERIVATIVES, PRODUCTION THEREOF AND PEST CONTROLLERS CONTAINING THE DERIVATIVES ISHIHARA SANGYO KAISHA, LTD. (JP) 2002-11-13 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 (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-20100093707-A1 ACID AMIDE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND PESTICIDES CONTAINING THEM NAA15, SAP18, CYP2C18 SRC 2405/4885PARP1 4625/4885CES1 593/4885
US-20040254237-A1 Acid amide derivatives, process for producing these, and pest agent containing these NAA15, CBR3, CBR1 SRC 1611/4885PARP1 4536/4885CES1 729/4885
US-20030153464-A1 Phenacylamin derivatives, production thereof and pest controllers containing the derivatives SCN4A, NAT1, HCN4 SRC 631/4885PARP1 4299/4885CES1 761/4885

“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.