Hydrochloric Acid

Hydrochloric Acid

SCHEMBL13570518

CC(C)(C)COc1cc(CN)ccn1.Cl

nearest known ligand 0.67

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
GABRP known ✓ O00591 1/20 0.38
GABRD known ✓ O14764 1/20 0.38
GABRA1 known ✓ P14867 1/20 0.38
GABRB1 known ✓ P18505 1/20 0.38
GABRG2 known ✓ P18507 1/20 0.38
GABRB3 known ✓ P28472 1/20 0.38
GABRA5 known ✓ P31644 1/20 0.38
GABRA3 known ✓ P34903 1/20 0.38
GABRA2 known ✓ P47869 1/20 0.38
GABRB2 known ✓ P47870 1/20 0.38
GABRA4 known ✓ P48169 1/20 0.38
GABRE known ✓ P78334 1/20 0.38
GABRA6 known ✓ Q16445 1/20 0.38
GABRG1 known ✓ Q8N1C3 1/20 0.38
GABRG3 known ✓ Q99928 1/20 0.38
GABRQ known ✓ Q9UN88 1/20 0.38
LOXL2 Q9Y4K0 17/20 0.67
LOX P28300 12/20 0.67
NUDT1 P36639 2/20 0.50
LOXL3 P58215 1/20 0.44

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 SCHEMBL25200556 0.87 LOXL2 (0.58) LOXL2LOXNUDT1LOXL3
SCHEMBL30931725 0.85 LOXL2 (0.60) LOXL2LOXNUDT1LOXL3
Hydrochloric Acid SCHEMBL22287295 0.83 LOXL2 (0.60) LOXL2LOXLOXL3
Hydrochloric Acid SCHEMBL4770707 0.83 LOXL2 (0.60) LOXL2LOXLOXL3
SCHEMBL16453459 0.83 NUDT1 (0.49) LOXL2LOXNUDT1GABRPGABRD
Hydrochloric Acid SCHEMBL463199 0.82 LOXL2 (0.96) LOXL2LOXLOXL3
SCHEMBL4550458 0.81 LOXL2 (0.59) LOXL2LOXLOXL3
SCHEMBL30398543 0.81 LOXL2 (0.59) LOXL2LOXLOXL3
SCHEMBL449200 0.80 LOXL2 (1.00) LOXL2LOXLOXL3
Hydrochloric Acid SCHEMBL4770701 0.80 LOXL2 (0.57) LOXL2LOXLOXL3

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
WO-2012152983-A1 PHENYL- SULFONYL DERIVATIVES AS MEDIATORS OF TRPA1 RECEPTOR ACTIVITY FOR THE TREATMENT OF PAIN ORION CORPORATION (FI) 2012-11-15 WO disclosed
EP-2520566-A1 New Pharmaceutical Compounds Orion Corporation (FI) 2012-11-07 EP disclosed