Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28852883

CNc1cc(F)ccc1OC(F)(F)F.Cl

nearest known ligand 0.38

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
▸ GAA known ✓ P10253 1/20 0.35
▸ HTR2A known ✓ P28223 3/20 0.33
▸ SLC6A4 known ✓ P31645 2/20 0.33
▸ HTR2C known ✓ P28335 1/20 0.33
▸ HTR2B known ✓ P41595 1/20 0.33
▸ EGFR known ✓ P00533 1/20 0.32
▸ FGFR1 known ✓ P11362 1/20 0.32
▸ KCNK3 known ✓ O14649 1/20 0.32
▸ KCNK9 known ✓ Q9NPC2 1/20 0.32
▸ KCNH2 known ✓ Q12809 1/20 0.32
▸ SLC6A2 known ✓ P23975 1/20 0.32
▸ SLC6A3 known ✓ Q01959 1/20 0.32
▸ EPHX2 P34913 3/20 0.38
▸ GPR3 P46089 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ TNNI3K Q59H18 3/20 0.35
▸ HRH4 Q9H3N8 1/20 0.33
▸ PYGL P06737 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ APP P05067 1/20 0.33

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
SCHEMBL22048142 0.84 AURKA (0.40) EPHX2GPR3PDE2AGAAHRH4
SCHEMBL28714968 0.79 KDR (0.43) EPHX2TNNI3KHRH4EGFRFGFR1
SCHEMBL9284158 0.79 TNNI3K (0.45) TNNI3KGAA
SCHEMBL8311823 0.77 APP (0.51) GAAHTR2ASLC6A4HTR2CHTR2B
SCHEMBL5645988 0.77 GAA (0.49) EPHX2GAAAPPAURKAKCNK3
SCHEMBL17681593 0.77 ALDH1A1 (0.56) EPHX2GAAPYGLEGFRFGFR1
Hydrochloric Acid SCHEMBL28093603 0.75 MPL (0.40) EPHX2GAATRPA1KCNK3KCNK9
SCHEMBL31757644 0.74 EPHX2 (0.37) EPHX2PDE2ATNNI3KGAA
SCHEMBL2088365 0.73 EPHX2 (0.48) EPHX2GAAPYGLEGFRFGFR1
SCHEMBL299889 0.73 SCN5A (0.42) EPHX2GPR3PDE2AHTR2ASLC6A4

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
CN-115135648-B Dihydronaphthyridones, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2024-02-09 — — CN disclosed
CN-115135648-A Dihydronaphthyridinone compounds, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2022-09-30 — — CN disclosed
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