Hydrochloric Acid

Hydrochloric Acid

SCHEMBL16765969

CC(=O)C=Cc1ccc2ccccc2n1.Cl

nearest known ligand 0.97

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
HDAC6 known ✓ Q9UBN7 2/20 0.65
HDAC3 known ✓ O15379 1/20 0.65
HDAC4 known ✓ P56524 1/20 0.65
HDAC1 known ✓ Q13547 1/20 0.65
HDAC7 known ✓ Q8WUI4 1/20 0.65
HDAC2 known ✓ Q92769 1/20 0.65
HDAC10 known ✓ Q969S8 1/20 0.65
HDAC11 known ✓ Q96DB2 1/20 0.65
HDAC8 known ✓ Q9BY41 1/20 0.65
HDAC9 known ✓ Q9UKV0 1/20 0.65
HDAC5 known ✓ Q9UQL6 1/20 0.65
LMNA P02545 8/20 0.97
KDM4E B2RXH2 8/20 0.97
MAPT P10636 8/20 0.97
SMN1; SMN2 Q16637 4/20 0.97
HTT P42858 2/20 0.97
CYP1A2 P05177 1/20 0.97
CYP2C19 P33261 1/20 0.97
PFKFB3 Q16875 2/20 0.60
PKM P14618 2/20 0.56

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
SCHEMBL6890723 0.98 LMNA (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL6890727 0.98 LMNA (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL902324 0.83 LMNA (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL372572 0.83 LMNA (1.00) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL30209642 0.81 LMNA (0.73) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL5717629 0.81 LMNA (0.73) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL5717630 0.81 LMNA (0.73) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL5093226 0.81 KDM4E (0.69) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL5093238 0.81 KDM4E (0.69) LMNAKDM4EMAPTSMN1; SMN2HTT
SCHEMBL10309039 0.79 PFKFB3 (0.81) LMNAKDM4EMAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9731001-B2 Three-dimensional cavities of dendritic cell immunoreceptor (DCIR), compounds binding thereto and therapeutic applications related to inhibition of human immunodeficiency virus type-1 (HIV-1) UNIVERSITE LAVAL (CA) 2017-08-15 US disclosed
US-20150157705-A1 THREE-DIMENSIONAL CAVITIES OF DENDRITIC CELL IMMUNORECEPTOR (DCIR), COMPOUNDS BINDING THERETO AND THERAPEUTIC APPLICATIONS RELATED TO INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS TYPE-1 (HIV-1) UNIVERSITE LAVAL (CA) 2015-06-11 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-20150157705-A1 THREE-DIMENSIONAL CAVITIES OF DENDRITIC CELL IMMUNORECEPTOR (DCIR), COMPOUNDS BINDING THERETO AND THERAPEUTIC APPLICATIONS RELATED TO INHIBITION OF HUMAN IMMUNODEFICIENCY VIRUS TYPE-1 (HIV-1) HAVCR2, CD4, CCR5 HDAC6 1703/4885HDAC3 661/4885HDAC4 1518/4885

“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.