Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7875692

Cl.Cl.Cl.Fc1ccc(C(CCCN2CCC(N3CCN(Cc4ccccc4)CC3)CC2)c2ccc(F)cc2)cc1

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
KCNH2 known ✓ Q12809 4/20 0.54
SLC6A3 known ✓ Q01959 3/20 0.54
HTR2A known ✓ P28223 3/20 0.54
CACNA1F known ✓ O60840 2/20 0.54
DRD1 known ✓ P21728 2/20 0.54
DRD4 known ✓ P21917 2/20 0.54
HRH2 known ✓ P25021 2/20 0.54
HTR2C known ✓ P28335 2/20 0.54
ADRA1A known ✓ P35348 2/20 0.54
HRH1 known ✓ P35367 2/20 0.54
OPRM1 known ✓ P35372 2/20 0.54
DRD3 known ✓ P35462 2/20 0.54
OPRD1 known ✓ P41143 2/20 0.54
OPRK1 known ✓ P41145 2/20 0.54
HTR6 known ✓ P50406 2/20 0.54
CACNA1D known ✓ Q01668 2/20 0.54
CACNA1S known ✓ Q13698 2/20 0.54
CACNA1C known ✓ Q13936 2/20 0.54
CACNA1G known ✓ O43497 1/20 0.54
CACNA1H known ✓ O95180 1/20 0.54

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
SCHEMBL16225775 0.83 TSHR (0.62) DRD4DRD3DRD2TSHRSMN1; SMN2
SCHEMBL16225912 0.83 TSHR (0.62) DRD4DRD3DRD2TSHRSMN1; SMN2
SCHEMBL904826 0.81 HTR2A (0.58) KCNH2SLC6A3HTR2ACACNA1FDRD1
SCHEMBL10555167 0.81 SLC6A3 (0.61) KCNH2SLC6A3HTR2ACACNA1FDRD1
Hydrochloric Acid SCHEMBL3706762 0.79 RECQL (0.68) DRD4DRD3KDM4EALDH1A1DRD2
SCHEMBL904847 0.78 HTR2A (0.54) KCNH2SLC6A3HTR2ACACNA1FDRD1
SCHEMBL3709310 0.78 RECQL (0.70) DRD4DRD3KDM4EALDH1A1DRD2
Hydrochloric Acid SCHEMBL3715814 0.77 MAPT (0.52) HTR2AHTR2CHTR6MEN1MAPT
SCHEMBL4062103 0.77 RECQL (0.60) KCNH2DRD4DRD3MAPTDRD2
SCHEMBL3800379 0.76 MAPT (0.53) HTR2AHTR2CHTR6MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
EP-0876366-B1 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA NV (BE) 2001-07-25 EP disclosed
US-5985878-A Angiogenesis inhibiting pyridazinamines JANSSEN PHARMACEUTICALS, N.V. (BE) 1999-11-16 US disclosed
EP-0876366-A2 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1998-11-11 EP disclosed
WO-1997026258-A1 ANGIOGENESIS INHIBITING PYRIDAZINAMINES JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-24 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 (1 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 KCNH2 4377/4885SLC6A3 2826/4885HTR2A 613/4885

“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.