Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5640424

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

nearest known ligand 0.54

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
ODC1 known ✓ P11926 1/20 0.33
PTGS2 known ✓ P35354 1/20 0.31
MEN1 O00255 2/20 0.54
CYP1A2 P05177 2/20 0.54
KMT2A Q03164 2/20 0.54
THRB P10828 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ARG1 P05089 6/20 0.46
ARG2 P78540 6/20 0.46
NOS1 P29475 2/20 0.43
NOS2 P35228 2/20 0.43
NOS3 P29474 1/20 0.43
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL3835684 0.98
SCHEMBL5696050 0.98
Hydrochloric Acid SCHEMBL1133986 0.85 MEN1 (0.62) MEN1CYP1A2KMT2ATHRBALDH1A1
SCHEMBL31588249 0.82
SCHEMBL58260 0.82
SCHEMBL16222762 0.79 MEN1 (0.47) MEN1CYP1A2KMT2ATHRBALDH1A1
SCHEMBL5321451 0.79 MEN1 (0.47) MEN1CYP1A2KMT2ATHRBALDH1A1
Hydrochloric Acid SCHEMBL2748363 0.78 ARG2 (0.44) MEN1CYP1A2KMT2ATHRBALDH1A1
Acetic Acid SCHEMBL103302 0.77 MEN1 (0.60) MEN1CYP1A2KMT2ATHRBALDH1A1
Hydrochloric Acid SCHEMBL21239452 0.76 MEN1 (0.65) MEN1CYP1A2KMT2ATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196118-B2 Amidino compounds useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2007-03-27 US disclosed
CN-1294117-C Amidino compounds and salts thereof useful as nitric oxide synthase inhibitors PHARMACIA CORP (US) 2007-01-10 CN disclosed
US-7102013-B2 Methods of making amidino compounds useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2006-09-05 US disclosed
EP-1265859-B1 AMIDINO COMPOUNDS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORP (US) 2005-12-21 EP disclosed
US-20050165106-A1 Preferentially inhibit the inducible isoform of nitric oxide synthase PHARMACIA CORPORATION (US) 2005-07-28 US disclosed
US-6914158-B2 Amidino compounds useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION (US) 2005-07-05 US disclosed
EP-1265860-B1 AMIDINO COMPOUND AND SALTS THEREOF USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORP (US) 2005-05-18 EP disclosed
US-20040186178-A1 Amidino compounds useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-09-23 US disclosed
US-20030199701-A1 Methods of making amidino compounds useful as nitric oxide synthase inhibitors PHARMACIA CORPORATE 2003-10-23 US disclosed
US-6586474-B2 Antiinflammatory agents PHARMACIA CORPORATION 2003-07-01 US disclosed
CN-1419539-A Amidino compound and salts thereof useful as nitric oxide synahase inhibitors PHARMACIA CORP (US) 2003-05-21 CN disclosed
EP-1265860-A1 AMIDINO COMPOUND AND SALTS THEREOF USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2002-12-18 EP disclosed
EP-1265859-A2 AMIDINO COMPOUNDS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2002-12-18 EP disclosed
US-20020111493-A1 Amidino compounds useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-08-15 US disclosed
US-6403830-B2 A S-(2-(1-IMINOETHYL)AMINO)ETHYL)-2-METHYL-L-CYSTEINE AND SALTS PHARMACIA CORPORATION 2002-06-11 US disclosed
US-20020019563-A1 Amidino compound and salts thereof useful as nitric oxide synthase inhibitors PHARMACIA LLC 2002-02-14 US disclosed
WO-2001072703-A1 AMIDINO COMPOUND AND SALTS THEREOF USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2001-10-04 WO disclosed
WO-2001072702-A2 AMIDINO COMPOUNDS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2001-10-04 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-20050165106-A1 Preferentially inhibit the inducible isoform of nitric oxide synthase NOS2, NOS1, NOS3 ODC1 109/4885PTGS2 42/4885MEN1 2301/4885
US-20040186178-A1 Amidino compounds useful as nitric oxide synthase inhibitors NOS2, NOS1, NOS3 ODC1 60/4885PTGS2 129/4885MEN1 1353/4885
US-20030199701-A1 Methods of making amidino compounds useful as nitric oxide synthase inhibitors NOS1, NOS2, NOS3 ODC1 42/4885PTGS2 69/4885MEN1 882/4885
US-20020111493-A1 Amidino compounds useful as nitric oxide synthase inhibitors NOS2, NOS1, NOS3 ODC1 60/4885PTGS2 129/4885MEN1 1353/4885
US-20020019563-A1 Amidino compound and salts thereof useful as nitric oxide synthase inhibitors NOS2, NOS1, NOS3 ODC1 52/4885PTGS2 77/4885MEN1 2096/4885

“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.