Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6701033

CN(N)c1cccc(Cl)c1.Cl

nearest known ligand 0.56

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
HTR3E known ✓ A5X5Y0 1/20 0.56
HTR3B known ✓ O95264 1/20 0.56
HTR3A known ✓ P46098 1/20 0.56
HTR3D known ✓ Q70Z44 1/20 0.56
HTR3C known ✓ Q8WXA8 1/20 0.56
EGFR known ✓ P00533 2/20 0.40
SIGMAR1 known ✓ Q99720 1/20 0.40
GAA known ✓ P10253 1/20 0.39
CSF1R known ✓ P07333 1/20 0.39
AOC3 Q16853 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 1/20 0.43
TAAR1 Q96RJ0 3/20 0.41
KMT2A Q03164 1/20 0.39
PNMT P11086 2/20 0.39
GRM4 Q14833 1/20 0.39
CYP3A4 P08684 1/20 0.38
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.38
TSHR P16473 1/20 0.38

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 SCHEMBL2868926 0.82 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29636353 0.79 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL60096 0.79 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL28169328 0.78 MAPT (0.52) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27736294 0.77 HTR3E (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27553540 0.77 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5677345 0.76 MAPT (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28305318 0.76 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14404368 0.75 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL134544 0.74 ALDH1A1 (0.43) ALDH1A1TAAR1EGFRSIGMAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214864-A1 Novel compounds ASTRAZENECA AB (SE) 2004-10-28 US disclosed
EP-1109790-B1 1, 2, 4-TRIAZOLE-3-THIONE COMPOUNDS ASTRAZENECA AB (SE) 2003-05-14 EP disclosed
EP-1274694-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP disclosed
US-20020086862-A1 Novel compounds ASTRAZENECA AB 2002-07-04 US disclosed
WO-2001077087-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 WO disclosed
EP-1109790-A1 1, 2, 4-TRIAZOLE-3-THIONE COMPOUNDS AstraZeneca AB (SE) 2001-06-27 EP disclosed
WO-2000012489-A1 1, 2, 4-TRIAZOLE-3-THIONE COMPOUNDS ASTRAZENECA AB (SE) 2000-03-09 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-20020086862-A1 Novel compounds ABCG2, CYP3A4, CYP4B1 HTR3E 221/4885HTR3B 294/4885HTR3A 798/4885
US-20040214864-A1 Novel compounds ABCG2, CYP3A4, CYP4B1 HTR3E 221/4885HTR3B 294/4885HTR3A 798/4885

“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.