Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6573325

C=CCOC(=O)[C@@H](N)CO.Cl

nearest known ligand 0.39

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 11)

geneUniProtsupporting neighboursconfidence
CACNA1B known ✓ Q00975 1/20 0.39
MAPT P10636 1/20 0.39
APBA1 Q02410 1/20 0.39
CYP3A4 P08684 1/20 0.37
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
NPSR1 Q6W5P4 1/20 0.30

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 SCHEMBL2302935 1.00 MAPT (0.39) MAPTCACNA1BAPBA1CYP3A4TSHR
Hydrochloric Acid SCHEMBL2302945 1.00 MAPT (0.39) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL2516533 0.98 MAPT (0.40) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL2286672 0.98 MAPT (0.40) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL3637092 0.83 MAPT (0.39) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL3634048 0.83 MAPT (0.39) MAPTCACNA1BAPBA1CYP3A4TSHR
Hydrochloric Acid SCHEMBL7208268 0.82 PTGS1 (0.41) MAPTCACNA1BAPBA1CYP3A4TSHR
Hydrochloric Acid SCHEMBL9680613 0.82 PTGS1 (0.41) MAPTCACNA1BAPBA1CYP3A4TSHR
Hydrochloric Acid SCHEMBL6573365 0.82 PTGS1 (0.41) MAPTCACNA1BAPBA1CYP3A4TSHR
SCHEMBL5341469 0.81 MAPT (0.40) MAPTCACNA1BAPBA1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0680327-B1 THERAPEUTIC USES AND DELIVERY SYSTEMS OF DEHYDROEPIANDROSTERONE ENDORECH INC (CA) 2004-09-15 EP disclosed
JP-2004099479-A 1,3-OXAZOLIDINE-2-THIONE COMPOUND AND METHOD FOR PRODUCING THE COMPOUND AND POLYTHIOURETHANE AND METHOD FOR PRODUCING THE POLYMER JSR CORP 2004-04-02 JP disclosed
US-5955455-A SEX STEROID PRECURSORS SUCH AS DEHYDROEPIANDROSTERONE AND DEHYDROEPIANDROSTERONE SULPHATE ARE UTILIZED FOR THE TREATMENT OF VAGINAL ATROPHY, HYPOGONADISM, DIMINISHED LIBIDO, LOSS OF COLLAGEN OR CONNECTIVE TISSUES IN THE SKIN, AND, IN ENDORECHERCHE, INC. (CA) 1999-09-21 US disclosed
US-5948434-A ADMINISTERING DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE SULPHATE VIA TRANSDERMAL PATCH ENDORECHERCHE, INC. (CA) 1999-09-07 US disclosed
US-5922700-A KIT FOR DRUG DELIVERY OF STEROIDS ENDORECHERCHE, INC. (CA) 1999-07-13 US disclosed
US-5872114-A Therapeutic methods and delivery systems utilizing sex steroid precursors ENDORECHERCHE, INC. (CA) 1999-02-16 US disclosed
US-5854229-A Therapeutic methods and delivery systems utilizing sex steroid precursors ENDORECHERCHE, INC. (CA) 1998-12-29 US disclosed
US-5843932-A Therapeutic methods and delivery systems utilizing sex steroid precursors ENDORCAHERCHE, INC. (CA) 1998-12-01 US disclosed
US-5837700-A MENOPAUSE ENDORECHERCHE, INC. (CA) 1998-11-17 US disclosed
US-5824671-A VAGINAL ATROPHY, HYPOGONADISM AND LOSS OF COLLAGEN OR CONNECTIVE TISSUES ENDORECHERCHE INC (CA) 1998-10-20 US disclosed
US-5807849-A INHIBITING URINARY INCONTINENCE ENDORECHERCHE, INC. (CA) 1998-09-15 US disclosed
US-5798347-A DEHYDROEPIANDROSTERONE AND DEHYDROEPIANDROSTERONE SULFATE USED FOR INHIBITING PROLIFERATION OF OVARIAN CANCER ENDORECHERCHE, INC. (CA) 1998-08-25 US disclosed
US-5780460-A ADMINISTERING DEHYDROEPIANDROSTERONE OR SULFATE TO TREAT MENOPAUSE, VAGINAL ATROPHY, AND OSTEOPOROSIS ENDOREOHERCHE, INC. (CA) 1998-07-14 US disclosed
US-5776923-A TREATMENT WITH SEX STEROIDS ENDORECHERCHE, INC. (CA) 1998-07-07 US disclosed
US-5728688-A TREATMENT OF MENOPAUSE, VAGINAL ATROPHY, HYPOGONADISM AND DIMINISHED LIBIDO ENDOREOHERCHE, INC. (CA) 1998-03-17 US disclosed
EP-0680327-A1 THERAPEUTIC USES AND DELIVERY SYSTEMS OF DEHYDROEPIANDROSTERONE ENDORECHERCHE INC. (CA) 1995-11-08 EP disclosed
WO-1994016709-A2 THERAPEUTIC USES AND DELIVERY SYSTEMS OF DEHYDROEPIANDROSTERONE ENDORECHERCHE INC. (CA) 1994-08-04 WO disclosed