Hydrochloric Acid

Hydrochloric Acid

SCHEMBL27697735

C=CCC(N)C(=O)OCc1ccccc1.Cl

nearest known ligand 0.46

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
▸ SLC6A2 known ✓ P23975 1/20 0.45
▸ SLC6A3 known ✓ Q01959 1/20 0.45
▸ PTGS1 known ✓ P23219 1/20 0.42
▸ IDO1 P14902 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ SLC15A1 P46059 1/20 0.44
▸ LTA4H P09960 1/20 0.44
▸ LAP3 P28838 1/20 0.44
▸ SLC1A1 P43005 4/20 0.43
▸ SLC1A3 P43003 3/20 0.43
▸ SLC1A2 P43004 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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 SCHEMBL2528757 1.00 IDO1 (0.46) IDO1ALDH1A1HCAR2KMT2AMAPK1
SCHEMBL27533978 0.98 ALDH1A1 (0.47) IDO1ALDH1A1HCAR2KMT2AMAPK1
SCHEMBL8257115 0.98 ALDH1A1 (0.47) IDO1ALDH1A1HCAR2KMT2AMAPK1
SCHEMBL12253535 0.85 SLC1A1 (0.48) IDO1ALDH1A1HCAR2KMT2AMAPK1
SCHEMBL20349700 0.84 SLC1A1 (0.49) IDO1ALDH1A1HCAR2KMT2AMAPK1
SCHEMBL27426825 0.84 SLC1A1 (0.49) IDO1ALDH1A1HCAR2KMT2AMAPK1
SCHEMBL17375357 0.83 KMT2A (0.47) IDO1ALDH1A1HCAR2KMT2AMAPK1
SCHEMBL19105307 0.82 ALDH1A1 (0.50) ALDH1A1HCAR2KMT2AMAPK1L3MBTL1
SCHEMBL28415850 0.81 SLC1A1 (0.57) SLC15A1SLC1A1SLC1A3SLC1A2ALPI
SCHEMBL28420374 0.81 SLC1A1 (0.57) SLC15A1SLC1A1SLC1A3SLC1A2ALPI

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
CN-102584940-B Peptidic compounds UNIV WOLLONGONG 2014-12-31 — — CN disclosed
CN-102584939-B Peptidic compounds UNIV WOLLONGONG 2014-08-06 — — CN disclosed
CN-101142175-B Peptide compounds UNIV WOLLONGONG 2013-03-06 — — CN disclosed
CN-102584940-A Peptidic compounds UNIV WOLLONGONG 2012-07-18 — — CN disclosed
CN-102584939-A Peptidic compounds UNIV WOLLONGONG 2012-07-18 — — CN disclosed
CN-101906134-A Peptidic compounds UNIV WOLLONGONG 2010-12-08 — — CN disclosed
CN-101142175-A Peptide compounds PEPTIDIC COMPOUNDS (AU) 2008-03-12 — — CN disclosed
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