Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3944228

Cl.NCc1ccc(C=CC(=O)O)cc1

nearest known ligand 0.57

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
▸ CA2 known ✓ P00918 2/20 0.57
▸ DPP4 known ✓ P27487 2/20 0.57
▸ ESR1 known ✓ P03372 1/20 0.57
▸ ESR2 known ✓ Q92731 1/20 0.57
▸ HDAC3 known ✓ O15379 2/20 0.55
▸ HDAC4 known ✓ P56524 2/20 0.55
▸ HDAC1 known ✓ Q13547 2/20 0.55
▸ HDAC7 known ✓ Q8WUI4 2/20 0.55
▸ HDAC2 known ✓ Q92769 2/20 0.55
▸ HDAC10 known ✓ Q969S8 2/20 0.55
▸ HDAC11 known ✓ Q96DB2 2/20 0.55
▸ HDAC8 known ✓ Q9BY41 2/20 0.55
▸ HDAC6 known ✓ Q9UBN7 2/20 0.55
▸ HDAC9 known ✓ Q9UKV0 2/20 0.55
▸ HDAC5 known ✓ Q9UQL6 2/20 0.55
▸ TTR known ✓ P02766 1/20 0.47
▸ MMP1 known ✓ P03956 1/20 0.47
▸ GLA known ✓ P06280 1/20 0.47
▸ GAA known ✓ P10253 1/20 0.47
▸ AGTR1 known ✓ P30556 1/20 0.47

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 SCHEMBL3944226 1.00 HCAR2 (0.57) HCAR2CA12AKR1B10CA1CA2
SCHEMBL2850996 0.98 HCAR2 (0.59) HCAR2CA12AKR1B10CA1CA2
SCHEMBL2850997 0.98 HCAR2 (0.59) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL11106077 0.85 CA12 (0.53) HCAR2CA12AKR1B10CA1CA2
SCHEMBL27746171 0.85 CYP1A2 (0.46) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL11106080 0.85 CA12 (0.53) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL3939502 0.84 NPSR1 (0.62) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL3939500 0.84 NPSR1 (0.62) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL11835203 0.83 HCAR2 (0.77) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL8378608 0.83 HCAR2 (0.77) HCAR2CA12AKR1B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009018344-A1 ANTICANCER AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2009-02-05 — — WO disclosed
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