Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7071028

CCCCCCCCC=CCCCCCCCC(=O)C(N)(C(C)O)C(C)O.Cl

nearest known ligand 0.59

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
▸ PPARG known ✓ P37231 3/20 0.53
▸ CHRM1 known ✓ P11229 1/20 0.53
▸ TOP1 known ✓ P11387 1/20 0.53
▸ CYP19A1 known ✓ P11511 1/20 0.53
▸ PTGS1 known ✓ P23219 1/20 0.53
▸ SLC6A2 known ✓ P23975 1/20 0.53
▸ FLT3 known ✓ P36888 1/20 0.53
▸ KCNH2 known ✓ Q12809 1/20 0.53
▸ FAAH O00519 7/20 0.59
▸ CES1 P23141 2/20 0.59
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C19 P33261 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ SOAT1 P35610 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ TERT O14746 3/20 0.53
▸ PTPN1 P18031 3/20 0.53
▸ PPARD Q03181 3/20 0.53

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 SCHEMBL10591069 0.83 FAAH (0.67) FAAHCES1CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL2044461 0.83 FAAH (0.67) FAAHCES1CYP1A2CYP2C19KMT2A
SCHEMBL8655383 0.82 FAAH (0.69) FAAHCES1CYP1A2CYP2C19KMT2A
SCHEMBL9212159 0.80 FAAH (0.67) FAAHCES1CYP1A2CYP2C19KMT2A
SCHEMBL869143 0.80 FAAH (0.67) FAAHCES1CYP1A2CYP2C19KMT2A
SCHEMBL21751441 0.80 FAAH (0.67) FAAHCES1CYP1A2CYP2C19KMT2A
SCHEMBL31280143 0.80 FAAH (0.67) FAAHCES1CYP1A2CYP2C19KMT2A
SCHEMBL9330785 0.80 FAAH (0.67) FAAHCES1CYP1A2CYP2C19KMT2A
SCHEMBL28857015 0.80 FAAH (0.58) FAAHCES1CYP1A2CYP2C19KMT2A
SCHEMBL16394563 0.79 FAAH (0.56) FAAHCES1CYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8311431-A — — None — — JP disclosed
US-20030069149-A1 Inhibitor for inhibiting carbonaceous powder from heating up/spontaneously igniting and method of inhibiting carbonaceous powder from heating up/spontaneously igniting LION CORPORATION (JP) 2003-04-10 — — US disclosed
JP-H08311431-A REDUCING AGENT FOR FRICTION RESISTANCE OF WATER-BASE MEDIUM AND REDUCING METHOD FOR FRICTION RESISTANCE OF WATER-BASE MEDIUM BY USING THE SAME LION CORP 1996-11-26 — — JP 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-20030069149-A1 Inhibitor for inhibiting carbonaceous powder from heating up/spontaneously igniting and method of inhibiting carbonaceous powder from heating up/spontaneously igniting CBS, UPP1, NOS1 PPARG 4584/4885CHRM1 245/4885TOP1 3065/4885

“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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