Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6098100

Cl.Cl.Nc1cccc2c1Nc1ccccc1NC2=O

nearest known ligand 0.55

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
ACVR1 known ✓ Q04771 3/20 0.55
PDGFRA known ✓ P16234 2/20 0.55
MAOA known ✓ P21397 1/20 0.46
MAOB known ✓ P27338 1/20 0.46
PARP1 known ✓ P09874 1/20 0.42
LCK known ✓ P06239 2/20 0.40
KDR known ✓ P35968 4/20 0.40
RET known ✓ P07949 2/20 0.38
FGFR1 known ✓ P11362 2/20 0.38
FLT1 known ✓ P17948 2/20 0.38
FLT4 known ✓ P35916 2/20 0.38
PRKD3 known ✓ O94806 1/20 0.38
ABL1 known ✓ P00519 1/20 0.38
CSF1R known ✓ P07333 1/20 0.38
MET known ✓ P08581 1/20 0.38
PDGFRB known ✓ P09619 1/20 0.38
ROCK1 known ✓ Q13464 1/20 0.38
ALK known ✓ Q9UM73 1/20 0.38
FGFR3 known ✓ P22607 1/20 0.38
FLT3 known ✓ P36888 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
SCHEMBL5366693 0.98 ACVR1 (0.57) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL27198929 0.77 ALDH1A1 (0.42) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL30776834 0.77 ALDH1A1 (0.42) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL8209672 0.76 CES1 (0.59) ACVR1LRRK2PDGFRAFERLTK
Hydrochloric Acid SCHEMBL6299954 0.74 LRRK2 (0.95) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL28266505 0.74 CYP3A4 (0.41) ACVR1LRRK2PDGFRAFERLTK
SCHEMBL29836255 0.73 CES1 (0.60) MAOAMAOBCYP1A2GSK3BL3MBTL1
SCHEMBL2042174 0.72 ACVR1 (0.56) ACVR1LRRK2PDGFRAFERLTK
Hydrochloric Acid SCHEMBL5362202 0.72 MAPT (0.44) ACVR1LRRK2PDGFRAFERLTK
Phthalimide SCHEMBL6407636 0.72 GSK3B (0.75) ACVR1LRRK2PDGFRAFERLTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026311-B2 Dibenzodiazepine derivatives, their preparation and use ABBOTT GMBH & CO., KG (DE) 2006-04-11 US disclosed
EP-1463731-B1 DIBENZODIAZEPINE DERIVATES, THEIR PREPARATION AND USE ABBOTT GMBH & CO KG (DE) 2005-09-28 EP disclosed
US-20030139394-A1 Dibenzodiazepine derivatives, their preparation and use ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-07-24 US 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-20030139394-A1 Dibenzodiazepine derivatives, their preparation and use CYP1B1, DRD1, CYP1A1 ACVR1 2765/4885PDGFRA 4143/4885MAOA 173/4885

“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.