Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5492998

Cl.Nc1ccc(C(c2ccccc2)S(=O)(=O)F)cc1

nearest known ligand 0.42

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
MAOB known ✓ P27338 2/20 0.36
MAOA known ✓ P21397 1/20 0.36
HTR6 known ✓ P50406 2/20 0.35
CA2 known ✓ P00918 2/20 0.35
GAA known ✓ P10253 1/20 0.34
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.38
KEAP1 Q14145 1/20 0.38
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
TSHR P16473 4/20 0.37
CYP3A4 P08684 4/20 0.37
TDP1 Q9NUW8 4/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.35
CYP2C9 P11712 2/20 0.35
MPO P05164 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35

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
SCHEMBL2477171 0.98 CYP2C19 (0.40) CYP2C19KMT2AKEAP1CNR2CNR1
SCHEMBL8520306 0.85 CYP2C19 (0.48) CYP2C19TSHRHTR6LMNAALDH1A1
Aniline SCHEMBL28578310 0.74 TSHR (0.61) KMT2AKEAP1TSHRCYP3A4TDP1
Aniline SCHEMBL28692745 0.71 TSHR (0.65) CYP2C19KMT2AKEAP1TSHRCYP3A4
Hydrochloric Acid SCHEMBL29004535 0.71 DPP4 (0.44) ALDH1A1
SCHEMBL3688628 0.69 TSHR (0.53) CYP2C19KMT2ATSHRCYP3A4TDP1
SCHEMBL133754 0.69 TSHR (0.53) CYP2C19KMT2ATSHRCYP3A4TDP1
Aniline SCHEMBL28199456 0.69 TSHR (0.61) CYP2C19KMT2AKEAP1TSHRCYP3A4
SCHEMBL22462447 0.69 ALDH1A1 (0.46) KMT2ATSHRCYP3A4TDP1HTR6
SCHEMBL13096280 0.69 DPP4 (0.46) TAAR1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033408-B1 COLD-INDUCIBLE EXPRESSION VECTOR TAKARA BIO INC (JP) 2007-11-07 EP disclosed
US-6897042-B2 Low-temperature inducible expression vector TAKARA BIO, INC. (JP) 2005-05-24 US disclosed
US-20030082799-A1 Low-temperature inducible expression vector TAKARA BIO INC. (JP) 2003-05-01 US disclosed
US-6479260-B1 Cold-inducible expression vector TAKARA SHUZO CO., LTD. (JP) 2002-11-12 US disclosed
EP-1033408-A1 COLD-INDUCIBLE EXPRESSION VECTOR Takara Shuzo Co, Ltd. (JP) 2000-09-06 EP disclosed
EP-0668352-A1 Protein having TPO activity Kirin Brewery Company, Ltd. (JP) 1995-08-23 EP disclosed