Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1042399

CCC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3CC.Cl

nearest known ligand 0.62

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
▸ HDAC1 known ✓ Q13547 3/20 0.33
▸ EGFR known ✓ P00533 2/20 0.33
▸ HSD17B10 Q99714 3/20 0.62
▸ TDP1 Q9NUW8 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ MAPT P10636 2/20 0.62
▸ THRB P10828 2/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ APEX1 P27695 2/20 0.62
▸ USP2 O75604 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ POLB P06746 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ HSPD1 P10809 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ NFKB1 P19838 1/20 0.62

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 SCHEMBL1044825 1.00 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL1044115 1.00 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL3292729 0.99 HSD17B10 (0.61) HSD17B10TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL6414612 0.99 HSD17B10 (0.61) HSD17B10TDP1MEN1MAPTTHRB
Hydrochloric Acid SCHEMBL3287063 0.99 HSD17B10 (0.61) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL314687 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL5447002 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL6413992 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL9609762 0.99 HSD17B10 (0.63) HSD17B10TDP1MEN1MAPTTHRB
SCHEMBL1603028 0.98 HSD17B10 (0.62) HSD17B10TDP1MEN1MAPTTHRB

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131028-A1 METHODS FOR TREATMENT OF SLEEP-RELATED BREATHING DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2013-05-23 — — US claimed
EP-2557921-A1 METHODS FOR TREATMENT OF SLEEP-RELATED BREATHING DISORDERS Johns Hopkins University (US) 2013-02-20 — — EP claimed
WO-2011130181-A1 METHODS FOR TREATMENT OF SLEEP-RELATED BREATHING DISORDERS JOHNS HOPKINS UNIVERSITY (US) 2011-10-20 — — WO claimed
EP-2250181-A1 RUTHENIUM COMPOUNDS AND COMPOSITIONS Cohen, Binyomin A. (US) 2010-11-17 — — EP claimed
US-20100280237-A1 PREPARATION OF METAL MESOPORPHYRIN COMPOUNDS MALLINCKRODT PHARMACEUTICALS IRELAND LIMITED (IE) 2010-11-04 — — US claimed
WO-2009099673-A1 RUTHENIUM COMPOUNDS AND COMPOSITIONS COHEN BINYOMIN A (US) 2009-08-13 — — WO claimed
JP-2007530676-A — — 2007-11-01 — — JP claimed
EP-1730150-A2 PREPARATION OF METAL MESOPORPHYRIN HALIDE COMPOUNDS Wellspring Pharmaceutical Corporation (US) 2006-12-13 — — EP claimed
EP-1509527-A4 PREPARATION OF METAL MESOPORPHYRIN HALIDE COMPOUNDS INFACARE PHARMACEUTICAL CORP (US) 2006-06-28 — — EP claimed
WO-2005103056-A2 PREPARATION OF METAL MESOPORPHYRIN HALIDE COMPOUNDS WELLSPRING PHARMACEUTICAL CORPORATION (US) 2005-11-03 — — WO claimed
US-6818763-B2 Preparation of metal mesoporphyrin halide compounds WELLSPRING PHARMACEUTICAL CORPORATION 2004-11-16 — — US claimed
US-20040210048-A1 Preparation of metal mesoporphyrin halide compounds WELLSPRING PHARMACEUTICAL CORPORATION 2004-10-21 — — US claimed
WO-2003101999-A2 PREPARATION OF METAL MESOPORPHYRIN HALIDE COMPOUNDS WELLSPRING PHARMACEUTICAL CORPORATION (US) 2003-12-11 — — WO claimed
US-20030225264-A1 Preparation of metal mesoporphyrin halide compounds SpecGx LLC 2003-12-04 — — US claimed
EP-0330799-A1 A method for the treatment of arthritis and inflammatory joint diseases SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-06 — — EP claimed
EP-0330800-A1 A method for affecting intracellular and extracellular electric and magnetic dipoles SCHERING AKTIENGESELLSCHAFT (DE) 1989-09-06 — — EP claimed
US-4813399-A Process for the treatment of neurological or neuromuscular diseases and development GORDON ROBERT T (US) 1989-03-21 — — US claimed
US-4767611-A KILING CANCER CELLS WITHOUT DAMAGING NORMAL CELLS; METAL CHELATES, COMPLEXES WITH DEXTRAN, PORPHYRINS; ELECTROMAGNETIC ENERGY GORDON ROBERT T (US) 1988-08-30 — — US claimed
US-4758429-A Method for the treatment of arthritis and inflammatory joint diseases GORDON, DAVID, SKOKIE, ILLINOIS 1988-07-19 — — US claimed
US-4610241-A Atherosclerosis treatment method GORDON, DAVID, SKOKIE, ILLINOIS 1986-09-09 — — US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20130131028-A1 METHODS FOR TREATMENT OF SLEEP-RELATED BREATHING DISORDERS HCRTR2, HCRTR1, CHRNB3 HDAC1 2142/4885EGFR 4483/4885HSD17B10 1685/4885

“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.

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