Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11809846

COc1ccc(Cc2c3ccccc3nc3cc(OC)c(OC)cc23)cc1OC.Cl

nearest known ligand 0.57

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
▸ GLA known ✓ P06280 2/20 0.57
▸ TTR known ✓ P02766 1/20 0.57
▸ GAA known ✓ P10253 1/20 0.57
▸ ACHE known ✓ P22303 5/20 0.51
▸ BCHE known ✓ P06276 3/20 0.51
▸ HSP90AB1 known ✓ P08238 1/20 0.51
▸ CA2 known ✓ P00918 1/20 0.49
▸ PDE5A known ✓ O76074 1/20 0.47
▸ PDE4A known ✓ P27815 1/20 0.47
▸ PDE4B known ✓ Q07343 1/20 0.47
▸ PDE4C known ✓ Q08493 1/20 0.47
▸ PDE4D known ✓ Q08499 1/20 0.47
▸ KCNH2 known ✓ Q12809 1/20 0.47
▸ PDE3B known ✓ Q13370 1/20 0.47
▸ PDE3A known ✓ Q14432 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ POLB P06746 2/20 0.57
▸ RAD52 P43351 1/20 0.57
▸ APP P05067 6/20 0.49

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
SCHEMBL11803544 0.93 POLB (0.60) KDM4EMAPTPOLBGLATTR
SCHEMBL11803771 0.77 MAPK1 (0.52) KDM4EMAPTPOLBGLATTR
Hydrochloric Acid SCHEMBL11809856 0.74 ACACA (0.57) KDM4EMAPTPOLBGLATTR
SCHEMBL4085302 0.74 SMN1; SMN2 (0.52) KDM4EMAPTPOLBGLATTR
Hydrochloric Acid SCHEMBL7511516 0.72 APP (0.59) KDM4EMAPTPOLBGLATTR
Hydrochloric Acid SCHEMBL7522378 0.72 APP (0.59) KDM4EMAPTPOLBGLATTR
SCHEMBL83495 0.71 CA2 (0.80) KDM4EMAPTPOLBTTRGAA
SCHEMBL11819246 0.71 PDE10A (0.56) KDM4EMAPTPOLBGLATTR
SCHEMBL30543763 0.71 NQO1 (0.48) KDM4EMAPTPOLBGAASMN1; SMN2
SCHEMBL11809733 0.71 MAOA (0.60) KDM4EMAPTPOLBRAD52SMN1; SMN2

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
US-3936457-A VASODILATION WARNER-LAMBERT COMPANY (US) 1976-02-03 — — US claimed
US-3936457-A VASODILATION WARNER-LAMBERT COMPANY (US) 1976-02-03 — — US disclosed
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