Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1027335

CNC1Cc2ccccc2C1.Cl

nearest known ligand 0.52

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
SIGMAR1 known ✓ Q99720 1/20 0.52
CA2 known ✓ P00918 1/20 0.47
DRD2 known ✓ P14416 2/20 0.44
DRD3 known ✓ P35462 2/20 0.44
DRD4 known ✓ P21917 1/20 0.44
GRIN2B known ✓ Q13224 1/20 0.44
SLC6A2 known ✓ P23975 8/20 0.44
SLC6A4 known ✓ P31645 8/20 0.44
SLC6A3 known ✓ Q01959 7/20 0.44
MAOA known ✓ P21397 1/20 0.43
MAOB known ✓ P27338 1/20 0.43
KCNH2 known ✓ Q12809 3/20 0.42
IDO1 P14902 2/20 0.47
CA1 P00915 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
CYP2D6 P10635 5/20 0.44
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
PDPK1 O15530 1/20 0.42

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
SCHEMBL714537 0.97 SIGMAR1 (0.53) SIGMAR1IDO1CA1CA2DRD2
Hydrochloric Acid SCHEMBL10462131 0.93 SIGMAR1 (0.47) SIGMAR1IDO1CA1CA2DRD2
Hydrochloric Acid SCHEMBL7430755 0.85 MTNR1A (0.59) SIGMAR1CA1CA2DRD2DRD3
Hydrochloric Acid SCHEMBL1026136 0.85 MTNR1A (0.59) SIGMAR1CA1CA2DRD2DRD3
Hydrochloric Acid SCHEMBL10460638 0.83 MAOA (0.48) SIGMAR1DRD2DRD3DRD4SLC6A2
Hydrochloric Acid SCHEMBL10463559 0.83 SIGMAR1 (0.44) SIGMAR1DRD2DRD3DRD4SLC6A2
SCHEMBL823055 0.82 MTNR1A (0.61) SIGMAR1CA1CA2DRD2DRD3
SCHEMBL4606877 0.82 MTNR1A (0.61) SIGMAR1CA1CA2DRD2DRD3
SCHEMBL823057 0.82 MTNR1A (0.61) SIGMAR1CA1CA2DRD2DRD3
SCHEMBL29599386 0.82 MTNR1A (0.61) SIGMAR1CA1CA2DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131431-A1 CHEMICAL ADDITIVES AND SURFACTANT COMBINATIONS FOR FAVORABLE WETTABILITY ALTERATION AND IMPROVED HYDROCARBON RECOVERY FACTORS ALCHEMY SCIENCES INC (US) 2020-04-30 US claimed
CN-112939895-B Glycyl amine derivative and preparation method and application thereof 桂林医学院 2022-11-04 CN disclosed
CN-112939895-A Glycyl amine derivative and preparation method and application thereof 桂林医学院 2021-06-11 CN disclosed
US-20200131431-A1 CHEMICAL ADDITIVES AND SURFACTANT COMBINATIONS FOR FAVORABLE WETTABILITY ALTERATION AND IMPROVED HYDROCARBON RECOVERY FACTORS ALCHEMY SCIENCES INC (US) 2020-04-30 US disclosed
CN-104277002-A Glycinamide derivative, and intermediate, preparation method, pharmaceutical composition and application thereof SHANGHAI INST PHARM INDUSTRY 2015-01-14 CN disclosed
CN-103450138-A Preparation of intermidiates of 6-substituted phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC 2013-12-18 CN disclosed
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed
US-5663183-A CEREBRAL DISORDERS SYNTHELABO (FR) 1997-09-02 US disclosed
US-5550125-A BRAIN DISORDERS SYNTHELABO (FR) 1996-08-27 US disclosed
US-5550162-A TREATMENT AND PREVENTION OF CEREBRAL DISORDERS SYNTHELABO (FR) 1996-08-27 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 SIGMAR1 3532/4885CA2 384/4885DRD2 4561/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 SIGMAR1 4091/4885CA2 2503/4885DRD2 4393/4885

“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.