Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2851355

COc1cc2nc(CNCCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC.Cl

nearest known ligand 0.68

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 6/20 0.68
GAA known ✓ P10253 5/20 0.68
KCNH2 known ✓ Q12809 3/20 0.68
ADRA2A known ✓ P08913 3/20 0.68
ADRA2B known ✓ P18089 3/20 0.68
ADRA2C known ✓ P18825 3/20 0.68
ADRA1D known ✓ P25100 3/20 0.68
ADRA1A known ✓ P35348 3/20 0.68
ADRA1B known ✓ P35368 3/20 0.68
ACHE known ✓ P22303 2/20 0.68
SLC6A2 known ✓ P23975 1/20 0.68
DRD3 known ✓ P35462 1/20 0.68
DRD1 known ✓ P21728 1/20 0.51
OPRM1 known ✓ P35372 1/20 0.51
OPRK1 known ✓ P41145 1/20 0.51
KDM4E B2RXH2 7/20 0.68
HPGD P15428 7/20 0.68
ALDH1A1 P00352 6/20 0.68
HSD17B10 Q99714 5/20 0.68
SLC22A1 O15245 2/20 0.68

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 SCHEMBL1690850 1.00 KDM4E (0.68) KDM4EHPGDGLAALDH1A1GAA
SCHEMBL707005 0.99 KDM4E (0.69) KDM4EHPGDGLAALDH1A1GAA
SCHEMBL2847409 0.99 KDM4E (0.69) KDM4EHPGDGLAALDH1A1GAA
SCHEMBL3482463 0.86 KCNH2 (0.56) KDM4EHPGDGLAALDH1A1GAA
SCHEMBL5612677 0.85 KDM4E (0.67) KDM4EHPGDGLAALDH1A1GAA
SCHEMBL3482799 0.85 KCNH2 (0.55) KDM4EHPGDGLAALDH1A1GAA
SCHEMBL26109570 0.84 KDM4E (0.61) KDM4EHPGDGLAALDH1A1GAA
Water SCHEMBL28943973 0.83 KDM4E (0.60) KDM4EHPGDGLAALDH1A1GAA
Alfuzosin SCHEMBL2851348 0.82 KDM4E (0.98) KDM4EHPGDGLAALDH1A1GAA
Alfuzosin SCHEMBL179910 0.82 KDM4E (0.98) KDM4EHPGDGLAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100092556-A1 ALFUZOSIN FORMULATIONS, METHODS OF MAKING, AND METHODS OF USE MUTUAL PHARMACEUTICAL COMPANY, INC., A PENNSYLVANIA CORPORATION 2010-04-15 US disclosed
WO-2009001369-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF ALFUZOSIN HYDROCHLORIDE ALEMBIC LIMITED (IN) 2008-12-31 WO disclosed
US-20080206338-A1 CONTROLLED RELEASE FORMULATIONS OF AN ALPHA-ADRENERGIC RECEPTOR ANTAGONIST AUROBINDO PHARMA LTD. (IN) 2008-08-28 US disclosed
US-20070105880-A1 PROCESS FOR THE PREPARATION OF ALFUZOSIN TORRENT PHARMACEUTICALS LIMITED (IN) 2007-05-10 US disclosed
US-20070049756-A1 ALFUZOSIN HYDROCHLORIDE POLYMORPHS DR. REDDY'S LABORATORIES, INC. 2007-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070105880-A1 PROCESS FOR THE PREPARATION OF ALFUZOSIN LPXN, PSAP, GYPA GLA 2104/4885GAA 1107/4885KCNH2 239/4885
US-20070049756-A1 ALFUZOSIN HYDROCHLORIDE POLYMORPHS LPXN, EPM2A, UBE2V1 GLA 1467/4885GAA 1788/4885KCNH2 845/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.