Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1032722

Cl.Cl.Nc1nc2c(s1)C[C@@H](N)CC2

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 0.54
ADRA2A known ✓ P08913 2/20 0.54
DRD3 known ✓ P35462 5/20 0.52
DRD2 known ✓ P14416 4/20 0.52
DRD4 known ✓ P21917 2/20 0.52
HRH2 known ✓ P25021 2/20 0.51
ADRB2 known ✓ P07550 1/20 0.51
HTR1A known ✓ P08908 1/20 0.51
ADRA2B known ✓ P18089 1/20 0.51
ADRA2C known ✓ P18825 1/20 0.51
HTR1B known ✓ P28222 1/20 0.51
HTR2A known ✓ P28223 1/20 0.51
HTR7 known ✓ P34969 1/20 0.51
ADRA1A known ✓ P35348 1/20 0.51
HRH1 known ✓ P35367 1/20 0.51
HTR2B known ✓ P41595 1/20 0.51
SIGMAR1 known ✓ Q99720 1/20 0.51
SCN4A known ✓ P35499 3/20 0.45
SCN3A known ✓ Q9NY46 4/20 0.43
SCN9A known ✓ Q15858 3/20 0.43

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 SCHEMBL27632975 1.00 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
Hydrochloric Acid SCHEMBL942873 1.00 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
SCHEMBL306888 0.98 LMNA (0.55) LMNAPOLBGAAMAPTTSHR
SCHEMBL2051128 0.98 LMNA (0.55) LMNAPOLBGAAMAPTTSHR
SCHEMBL306889 0.98 LMNA (0.55) LMNAPOLBGAAMAPTTSHR
Bromide SCHEMBL1193429 0.96 LMNA (0.54) LMNAPOLBGAAMAPTTSHR
Bromide SCHEMBL16061698 0.95 LMNA (0.53) LMNAPOLBGAAMAPTTSHR
Cadaverine Tartrate SCHEMBL3998786 0.83 LMNA (0.47) LMNAPOLBGAAMAPTTSHR
Cadaverine Tartrate SCHEMBL28359878 0.83 LMNA (0.47) LMNAPOLBGAAMAPTTSHR
Cadaverine Tartrate SCHEMBL307192 0.82 LMNA (0.46) LMNAPOLBGAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8203002-B2 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2012-06-19 US disclosed
EP-2289885-A1 Intermediates for the preparation of pramipexole Dipharma Francis S.r.l. (IT) 2011-03-02 EP disclosed
EP-1730129-B1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA FRANCIS SRL (IT) 2011-01-19 EP disclosed
US-20100222595-A1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2010-09-02 US disclosed
US-7741490-B2 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2010-06-22 US disclosed
US-20070191439-A1 Intermediates for the preparation of pramipexole DIPHARMA S.P.A. (IT) 2007-08-16 US disclosed
EP-1730129-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE Dipharma S.p.A. (IT) 2006-12-13 EP disclosed
WO-2005092871-A2 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE DIPHARMA S.P.A. (IT) 2005-10-06 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-20100222595-A1 INTERMEDIATES FOR THE PREPARATION OF PRAMIPEXOLE CYP11B2, CYP11B1, CYP4A11 GAA 941/4885ADRA2A 217/4885DRD3 1572/4885
US-20070191439-A1 Intermediates for the preparation of pramipexole CYP11B2, CYP11B1, CYP4A11 GAA 941/4885ADRA2A 217/4885DRD3 1572/4885

“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.