Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1820969

Cl.N.NCCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

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
KCNH2 known ✓ Q12809 1/20 0.53
HRH3 known ✓ Q9Y5N1 1/20 0.50
CA2 known ✓ P00918 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.64
TSHR P16473 1/20 0.60
IDO1 P14902 4/20 0.56
ALDH1A1 P00352 2/20 0.54
KCNJ1 P48048 2/20 0.53
F2 P00734 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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 SCHEMBL27576463 0.98 LOXL2 (0.67) LOXL2TSHRIDO1ALDH1A1KCNJ1
Ammonia Solution, Strong SCHEMBL21518028 0.98 LOXL2 (0.67) LOXL2TSHRIDO1ALDH1A1KCNJ1
Hydrochloric Acid SCHEMBL115247 0.98 LOXL2 (0.67) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL335044 0.96 LOXL2 (0.69) LOXL2TSHRIDO1ALDH1A1KCNJ1
Bromide SCHEMBL11379599 0.94 LOXL2 (0.67) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL19874575 0.94 LOXL2 (0.67) LOXL2TSHRIDO1ALDH1A1KCNJ1
Hydrochloric Acid SCHEMBL7504059 0.86 LOXL2 (0.62) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL20303796 0.85 HPGD (0.58) LOXL2TSHRIDO1ALDH1A1KCNJ1
Hydrochloric Acid SCHEMBL17260639 0.85 LOXL2 (0.60) LOXL2TSHRIDO1ALDH1A1KCNJ1
SCHEMBL43299 0.84 LOXL2 (0.64) LOXL2TSHRIDO1ALDH1A1KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2960233-B1 NEW THERAPEUTIC AGENTS CANCER RESEARCH TECH LTD (GB) 2019-10-30 EP disclosed
US-10414726-B2 Therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-09-17 US disclosed
US-20180118684-A1 THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-05-03 US disclosed
US-20160355478-A1 THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-12-08 US disclosed
US-9358222-B2 Therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-06-07 US disclosed
EP-2960233-A1 NEW THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2015-12-30 EP disclosed
US-20140194486-A1 THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-07-10 US disclosed
US-8618158-B2 Therapeutic agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-12-31 US disclosed
US-20110224274-A1 New Therapeutic Agents CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-09-15 US disclosed
EP-2315749-A2 NEW THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2011-05-04 EP disclosed
WO-2009156735-A2 NEW THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-12-30 WO disclosed
US-7262172-B2 Macrolides GLAXO GROUP LIMITED (GB) 2007-08-28 US disclosed
US-20040254124-A1 Macrolides PLIVA D.D. (HR) 2004-12-16 US disclosed
EP-1328535-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2003-07-23 EP disclosed
WO-2002032917-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2002-04-25 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 (6 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-20140194486-A1 THERAPEUTIC AGENTS TP53, MDM2, TP53BP1 KCNH2 4720/4885HRH3 3302/4885CA2 3974/4885
US-20040254124-A1 Macrolides OGFOD1, TLR7, MALT1 KCNH2 1816/4885HRH3 285/4885CA2 1031/4885
US-20110224274-A1 New Therapeutic Agents TP53, MDM2, TP53BP1 KCNH2 4701/4885HRH3 3299/4885CA2 4221/4885
US-20180118684-A1 THERAPEUTIC AGENTS TP53, MDM2, TP53BP1 KCNH2 4720/4885HRH3 3302/4885CA2 3974/4885
US-10414726-B2 Therapeutic agents TP53, MDM2, TP53BP1 KCNH2 4720/4885HRH3 3302/4885CA2 3974/4885
US-20160355478-A1 THERAPEUTIC AGENTS TP53, MDM2, TP53BP1 KCNH2 4720/4885HRH3 3302/4885CA2 3974/4885

“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.