Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1983401

Cl.c1ccc(CCNCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 1.00
SIGMAR1 known ✓ Q99720 5/20 0.69
BCHE known ✓ P06276 1/20 0.65
MAOA known ✓ P21397 1/20 0.64
CA2 known ✓ P00918 1/20 0.62
CHRM2 known ✓ P08172 1/20 0.61
MAPT P10636 1/20 1.00
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA4 P22748 1/20 0.62
CA9 Q16790 1/20 0.62
MPO P05164 2/20 0.60
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL27228 0.98 GAA (0.95) GAAMAPTMEN1KMT2ATDP1
SCHEMBL3272134 0.95 GAA (0.91) GAAMAPTMEN1KMT2ATDP1
SCHEMBL11881258 0.95 GAA (0.91) GAAMAPTMEN1KMT2ATDP1
Ammonia Solution, Strong SCHEMBL23581968 0.95 GAA (0.91) GAAMAPTMEN1KMT2ATDP1
SCHEMBL25432637 0.95 GAA (0.91) GAAMAPTMEN1KMT2ATDP1
Ethylenediamine SCHEMBL9304893 0.89 GAA (0.80) GAAMAPTMEN1KMT2ATDP1
SCHEMBL10060315 0.89 GAA (0.80) GAAMAPTMEN1KMT2ATDP1
Bicarbonate SCHEMBL11575509 0.89 GAA (0.80) GAAMAPTMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL3837992 0.88 GAA (0.78) GAAMAPTMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL9332806 0.88 GAA (0.78) GAAMAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102344355-B Method for preparing chiral (S)-2-propionic acid SHANGHAI KELI BIOLOG MEDICAL CO LTD 2014-01-01 CN claimed
CN-102344355-A Method for preparing chiral (S)-2-propionic acid SHANGHAI KELI BIOLOG MEDICAL CO LTD 2012-02-08 CN claimed
CN-102344355-B Method for preparing chiral (S)-2-propionic acid SHANGHAI KELI BIOLOG MEDICAL CO LTD 2014-01-01 CN disclosed
CN-102344355-A Method for preparing chiral (S)-2-propionic acid SHANGHAI KELI BIOLOG MEDICAL CO LTD 2012-02-08 CN disclosed
US-20110151022-A1 THIOTUNGSTATE ANALOGUES AND USES THEREOF ATTENUON, LLC 2011-06-23 US disclosed
US-7851505-B2 Thiotungstate analogues and uses thereof ATTENUON, LLC (US) 2010-12-14 US disclosed
US-20060160805-A1 for the treatment of diseases associated with aberrant vascularization, copper metabolism disorders, neurodegenerative disorders, obesity or nuclear factor kappa beta dysregulation ATTENUON, LLC 2006-07-20 US disclosed
WO-2004110364-A9 THIOTUNGSTATE ANALOGUES AND USES THEREOF ATTENUON L L C (US) 2005-04-07 WO disclosed
EP-1251827-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS Basilea Pharmaceutica AG (CH) 2002-10-30 EP disclosed
WO-2001052894-A2 NASALLY ADMINISTRABLE CYCLIC PEPTIDE COMPOSITIONS BASILEA PHARMACEUTICA AG (CH) 2001-07-26 WO disclosed
EP-1100816-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2001-05-23 EP disclosed
WO-2000005251-A1 AEROTHRICIN ANALOGS, THEIR PREPARATION AND USE F. HOFFMANN-LA ROCHE AG (CH) 2000-02-03 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 (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-20060160805-A1 for the treatment of diseases associated with aberrant vascularization, copper metabolism disorders, neurodegenerative disorders, obesity or nuclear factor kappa beta dysregulation NFKBIA, RELA, IKBKG GAA 28/4885SIGMAR1 895/4885BCHE 1644/4885
US-20110151022-A1 THIOTUNGSTATE ANALOGUES AND USES THEREOF NFKBIA, RELA, SLC40A1 GAA 65/4885SIGMAR1 1117/4885BCHE 1843/4885

“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.