Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5974445

Cl.N=C(N)NN=Cc1ccc(/C=C/C(=O)O)cc1

nearest known ligand 0.48

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
CA2 known ✓ P00918 1/20 0.46
ESR1 known ✓ P03372 1/20 0.46
DPP4 known ✓ P27487 1/20 0.46
ESR2 known ✓ Q92731 1/20 0.46
HDAC3 known ✓ O15379 1/20 0.44
HDAC4 known ✓ P56524 1/20 0.44
HDAC1 known ✓ Q13547 1/20 0.44
HDAC7 known ✓ Q8WUI4 1/20 0.44
HDAC2 known ✓ Q92769 1/20 0.44
HDAC10 known ✓ Q969S8 1/20 0.44
HDAC11 known ✓ Q96DB2 1/20 0.44
HDAC8 known ✓ Q9BY41 1/20 0.44
HDAC6 known ✓ Q9UBN7 1/20 0.44
HDAC9 known ✓ Q9UKV0 1/20 0.44
HDAC5 known ✓ Q9UQL6 1/20 0.44
GLA known ✓ P06280 1/20 0.40
GAA known ✓ P10253 1/20 0.40
SCN4A known ✓ P35499 1/20 0.40
SCN9A known ✓ Q15858 1/20 0.40
HCAR2 Q8TDS4 2/20 0.46

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 SCHEMBL5974441 1.00 HCAR2 (0.46) HCAR2CA12AKR1B10CA1CA2
Hydrochloric Acid SCHEMBL5974442 1.00 HCAR2 (0.46) HCAR2CA12AKR1B10CA1CA2
SCHEMBL27421239 0.98 HCAR2 (0.47) HCAR2CA12AKR1B10CA1CA2
SCHEMBL27421238 0.98 HCAR2 (0.47) HCAR2CA12AKR1B10CA1CA2
SCHEMBL21882813 0.86 HCAR2 (0.50) HCAR2CA12AKR1B10CA1CA2
SCHEMBL10054978 0.82 KDM4E (0.63) KDM4EKMT2AMEN1LMNACYP1A2
SCHEMBL11371147 0.79 ESRRG (0.59) CA12CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL9618643 0.79 MEN1 (0.58) CA1CA2CA4CA9KDM4E
Hydrochloric Acid SCHEMBL9618642 0.79 MEN1 (0.58) CA1CA2CA4CA9KDM4E
SCHEMBL20625800 0.77 KDM4E (0.57) KDM4EKMT2AMEN1LMNAALDH1A1

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-1160240-B1 Guanylhydrazones for treating inflammatory conditions CYTOKINE PHARMASCIENCES INC (US) 2006-11-22 EP disclosed
EP-0746312-B1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS PICOWER INST MED RES (US) 2002-09-25 EP disclosed
US-20020028851-A1 Aromatic guanylhydrazones (amidinohydrazones) used to prevent and ameliorating cachexia; to inhibit the uptake of arginine by macrophages and/or its conversion to urea; to prevent the generation of nitric oxide (NO) and tumor necrosis factor BIANCHI MARINA (IT) 2002-03-07 US disclosed
EP-1160240-A1 Guanylhydrazones for treating inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2001-12-05 EP disclosed
US-6248787-B1 REDUCING CACHEXIA THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2001-06-19 US disclosed
US-6180676-B1 THERAPY FOR CACHEXIA THE PICOWER INSTITUTE FOR MEDICAL RESEARCH 2001-01-30 US disclosed
US-6022900-A Guanylhydrazones and their use to treat inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 2000-02-08 US disclosed
US-6008255-A TREATING ENDOTOXIC SHOCK BY ADMINISTERING COMPOUNDS OF GIVEN FORMULA WHICH ARE AROMATICS SUBSTITUTED WITH MULTIPLE GUANYLHYDRAZONE MOIETIES, MORE PROPERLY TERMED AMIDINOHYDRAZONES (H2N-C(=NH)-NH-N=) THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1999-12-28 US disclosed
EP-0746312-A4 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS PICOWER INST MED RES (US) 1999-05-26 EP disclosed
US-5859062-A ADMINISTERING TO TREAT INFLAMMATORY DISEASES MEDIATED BY TUMOR NECROSIS FACTOR THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1999-01-12 US disclosed
US-5854289-A Guanylhydrazones and their use to treat inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-12-29 US disclosed
US-5849794-A Guanylhydrazones and their use to treat inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-12-15 US disclosed
US-5753684-A Guanylhydrazones and their use to treat inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-05-19 US disclosed
US-5750573-A PREVENTING AND TREATING CACHEXIA, THE CLINICAL SYNDROME OF POOR NUTRITION AND BODILY WASTING ASSOCIATED WITH CANCER AND CHRONIC DISEASES; ARGINASE INHIBITORS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-05-12 US disclosed
US-5599984-A AROMATIC AMIDINOHYDRAZONES AS INHIBITORS FOR THE UPTAKE OF ARGININE BY MACROPHAGES AND/OR ITS CONVERSION TO UREA; PREVENTION OF NITRIC OXIDE GENERATION; CACHEXIA; METABOLIC SYNDROMES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-02-04 US disclosed
EP-0746312-A1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1996-12-11 EP disclosed
WO-1995019767-A1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1995-07-27 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 (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-20020028851-A1 Aromatic guanylhydrazones (amidinohydrazones) used to prevent and ameliorating cachexia; to inhibit the uptake of arginine by macrophages and/or its conversion to urea; to prevent the generation of nitric oxide (NO) and tumor necrosis factor ARG1, ARG2, NOS3 CA2 1364/4885ESR1 3780/4885DPP4 1648/4885

“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.