Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8937692

CC(C(=O)O)c1ccncc1.Cl

nearest known ligand 0.54

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
PTGS2 known ✓ P35354 10/20 0.53
PTGS1 known ✓ P23219 7/20 0.50
ESR1 known ✓ P03372 1/20 0.50
ADRB3 known ✓ P13945 1/20 0.50
HTR2A known ✓ P28223 1/20 0.50
CYP19A1 known ✓ P11511 1/20 0.47
ROCK2 known ✓ O75116 1/20 0.44
ROCK1 known ✓ Q13464 1/20 0.44
AKR1C3 P42330 4/20 0.54
AKR1C2 P52895 3/20 0.54
CYP2C9 P11712 4/20 0.50
LMNA P02545 4/20 0.50
CXCR1 P25024 4/20 0.50
CXCR2 P25025 4/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
CXCL8 P10145 2/20 0.50
PMP22 Q01453 2/20 0.50
ALB P02768 1/20 0.50
ALOX5 P09917 1/20 0.50
RARB P10826 1/20 0.50

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
SCHEMBL1690400 0.98 AKR1C3 (0.56) AKR1C3AKR1C2PTGS2PTGS1CYP2C9
SCHEMBL14537418 0.98 AKR1C3 (0.56) AKR1C3AKR1C2PTGS2PTGS1CYP2C9
SCHEMBL28874185 0.86 PTGS2 (0.69) AKR1C3AKR1C2PTGS2PTGS1CYP2C9
SCHEMBL11879035 0.84 CYP19A1 (0.49) AKR1C3AKR1C2PTGS2TSHRCYP19A1
Pyridine SCHEMBL8586099 0.83 PTGS2 (0.60) AKR1C3AKR1C2PTGS2PTGS1CYP2C9
SCHEMBL9111312 0.82 CYP19A1 (0.50) AKR1C3AKR1C2PTGS2CYP19A1ALDH1A1
SCHEMBL11826826 0.81 PTGS1 (0.53) AKR1C3AKR1C2PTGS2PTGS1CYP2C9
SCHEMBL9485441 0.81 PTGS2 (0.46) AKR1C3AKR1C2PTGS2PTGS1CYP2C9
SCHEMBL59197 0.81 PTGS2 (0.74) AKR1C3AKR1C2PTGS2PTGS1CYP2C9
SCHEMBL28212454 0.81 CYP19A1 (0.46) AKR1C3AKR1C2PTGS2LMNACYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663834-A4 GROWTH HORMONE RELEASING PEPTIDES. SMITHKLINE BEECHAM CORP (US) 1996-01-24 EP disclosed
EP-0663834-A1 GROWTH HORMONE RELEASING PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1995-07-26 EP disclosed
WO-1994007519-A1 GROWTH HORMONE RELEASING PEPTIDES SMITHKLINE BEECHAM CORPORATION (US) 1994-04-14 WO disclosed