Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7244282

CC(C)n1nc(CNc2cccc(O)c2)c(N)c1N.Cl

nearest known ligand 0.40

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
PIK3CD known ✓ O00329 4/20 0.39
SRC known ✓ P12931 4/20 0.39
ABL1 known ✓ P00519 3/20 0.39
PIK3CA known ✓ P42336 3/20 0.39
EGFR known ✓ P00533 1/20 0.39
KDR known ✓ P35968 1/20 0.39
BCHE known ✓ P06276 1/20 0.36
ACHE known ✓ P22303 1/20 0.36
HSP90AA1 known ✓ P07900 1/20 0.35
HSP90AB1 known ✓ P08238 1/20 0.35
GRIN2D known ✓ O15399 1/20 0.33
GRIN3B known ✓ O60391 1/20 0.33
GRIN1 known ✓ Q05586 1/20 0.33
GRIN2A known ✓ Q12879 1/20 0.33
GRIN2B known ✓ Q13224 1/20 0.33
GRIN2C known ✓ Q14957 1/20 0.33
GRIN3A known ✓ Q8TCU5 1/20 0.33
SIGMAR1 known ✓ Q99720 1/20 0.33
MAOB known ✓ P27338 1/20 0.33
PIK3CB P42338 3/20 0.39

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
SCHEMBL6661909 0.99 SRC (0.40) PIK3CDSRCPIK3CBPIK3CGABL1
Hydrochloric Acid SCHEMBL6662612 0.88 SRC (0.34) PIK3CDSRCPIK3CGABL1PIK3CA
SCHEMBL6661798 0.86 SRC (0.34) PIK3CDSRCPIK3CGABL1PIK3CA
Hydrochloric Acid SCHEMBL6660875 0.85 MEN1 (0.38) PIK3CDSRCPIK3CBPIK3CGABL1
Hydrochloric Acid SCHEMBL6666456 0.84 NPC1 (0.37) SRCMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL5224955 0.83 MEN1 (0.39) PIK3CDSRCPIK3CBPIK3CGABL1
SCHEMBL6661847 0.83 MAOA (0.38) MEN1ALDH1A1CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6661898 0.82 TUBB4A (0.42) PIK3CDSRCPIK3CBPIK3CGABL1
SCHEMBL6659526 0.81 EGFR (0.41) PIK3CDSRCPIK3CBPIK3CGABL1
Hydrochloric Acid SCHEMBL6662598 0.79 MAOA (0.40) SRCALDH1A1APPMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6600050-B2 Inorganic and organic acids and agents, containing these compounds, for the oxidative dyeing of fibers such as hair for hair dyes WELLA AG (DE) 2003-07-29 US disclosed
US-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-06-26 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 (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-20030115684-A1 Novel diaminopyrazole derivatives and dyes containing said compounds AOC1, DPYD, PPOX PIK3CD 4362/4885SRC 4281/4885ABL1 1541/4885

“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.