Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7233266

Cl.Cl[Pd]Cl.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.71

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 15)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 4/20 0.52
ESR2 known ✓ Q92731 4/20 0.52
GAA known ✓ P10253 1/20 0.41
DRD1 known ✓ P21728 2/20 0.31
CYP3A4 P08684 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
APP P05067 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL1823 0.97 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL4055738 0.97 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL5598857 0.97 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL211632 0.97 CYP3A4 (0.75) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL30067172 0.94 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL29359632 0.94 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL2653270 0.94 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL6415873 0.94 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
SCHEMBL30041418 0.94 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E
Methane SCHEMBL28585682 0.94 CYP3A4 (0.71) CYP3A4TDP1ESR1ESR2KDM4E

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-3027636-B1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS LLC (US) 2022-01-05 EP disclosed
US-10238680-B2 D-amino acid phosphoramidate pronucleotides of halogeno pyrimidine compounds for liver disease IDENIX PHARMACEUTICALS LLC (US) 2019-03-26 US disclosed
EP-3027636-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE Idenix Pharmaceuticals LLC (US) 2016-06-08 EP disclosed
US-20160082030-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE UNIVERSITE DE MONTPELLIER (FR) 2016-03-24 US disclosed
US-20150037282-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS, INC. 2015-02-05 US disclosed
WO-2015017713-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS, INC. (US) 2015-02-05 WO disclosed
US-6593480-B2 Obesity, hyperglycemia ABBOTT LABORATORIES 2003-07-15 US disclosed
WO-2002070507-A2 GLYCORTICOID RECEPTOR ANTAGONISTS FOR TREATMENT OF DIABETES ABBOTT LABORATORIES (US) 2002-09-12 WO disclosed
EP-1159275-A2 IMIDAZOLE COMPOUNDS AS HISTAMINE H3 LIGANDS SCHERING CORPORATION (US) 2001-12-05 EP disclosed
US-20010041802-A1 Glucocorticoid receptor antagonists for treatment of diabetes KARO BIO AB (SE) 2001-11-15 US disclosed
US-6211182-B1 HISTAMINE H3-ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIASTHMATICS; NERVOUS SYSTEM, PSYCHOLOGICAL, SLEEP, AND GASTROINTESTINAL DISORDERS SCHERING CORPORATION 2001-04-03 US disclosed
WO-2000053596-A2 IMIDAZOLE COMPOUNDS AS HISTAMINE H3 LIGANDS SCHERING CORPORATION (US) 2000-09-14 WO disclosed
US-6069151-A Quinolines and their therapeutic use DARWIN DISCOVERY, LTD. (GB) 2000-05-30 US disclosed
EP-0993449-A1 QUINOLINE DERIVATIVES AS PDE IV AND/OR TNF INHIBITORS Darwin Discovery Limited (GB) 2000-04-19 EP disclosed
WO-1998057936-A1 QUINOLINE DERIVATIVES AS PDE IV AND/OR TNF INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1998-12-23 WO disclosed
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO 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 (4 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-20150037282-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE PNP, ATIC, SLC29A1 ESR1 2803/4885ESR2 2798/4885GAA 1720/4885
US-20160082030-A1 D-AMINO ACID PHOSPHORAMIDATE PRONUCLEOTIDES OF HALOGENO PYRIMIDINE COMPOUNDS FOR LIVER DISEASE PNP, ATIC, SLC29A1 ESR1 2803/4885ESR2 2798/4885GAA 1720/4885
US-20010041802-A1 Glucocorticoid receptor antagonists for treatment of diabetes NR3C1, GPR119, NR3C2 ESR1 780/4885ESR2 269/4885GAA 1444/4885
US-10238680-B2 D-amino acid phosphoramidate pronucleotides of halogeno pyrimidine compounds for liver disease PNP, ATIC, SLC29A1 ESR1 2803/4885ESR2 2798/4885GAA 1720/4885

“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.