Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6544504

Cc1ccn2ccnc2c1.Cl

nearest known ligand 0.43

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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
CCR5 known ✓ P51681 1/20 0.41
GAA known ✓ P10253 3/20 0.41
PIK3CD known ✓ O00329 1/20 0.36
ABL1 known ✓ P00519 1/20 0.36
EGFR known ✓ P00533 1/20 0.36
SRC known ✓ P12931 1/20 0.36
KDR known ✓ P35968 1/20 0.36
PIK3CA known ✓ P42336 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 1/20 0.43
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
NPC1 O15118 5/20 0.41
POLB P06746 3/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 8/20 0.40
RAB9A P51151 5/20 0.40
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL557143 0.98 SMN1; SMN2 (0.44) SMN1; SMN2TP53CCR1CCR5CCR8
SCHEMBL13680536 0.78 TGFBR1 (0.53) NPC1KDM4ERAB9AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL26967225 0.75 PIK3C3 (0.40) KMT2AALDH1A1CYP1A2PIK3C3PIK3CD
Hydrochloric Acid SCHEMBL29973544 0.75 DYRK1A (0.42) SMN1; SMN2TP53POLBGFERKMT2A
SCHEMBL13149305 0.73 TEAD4 (0.39) POLBGAAKMT2AALDH1A1TDP1
SCHEMBL3185174 0.72 PIK3C3 (0.38) KMT2ACYP1A2PIK3C3PIK3CDABL1
SCHEMBL601353 0.72 PIK3C3 (0.41) KMT2AALDH1A1CYP1A2PIK3C3PIK3CD
SCHEMBL14144231 0.72 PIK3C3 (0.38) KMT2ACYP1A2PIK3C3PIK3CDABL1
SCHEMBL20755769 0.72 PIK3C3 (0.38) KMT2ACYP1A2PIK3C3PIK3CDABL1
SCHEMBL174229 0.72 DYRK1A (0.43) SMN1; SMN2TP53POLBGFERKMT2A

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
US-20040142961-A1 Utilization of substituted imidazo[1,2-a]-pyridine compounds in pharmaceutical formulations GRUENENTHAL GMBH (DE) 2004-07-22 US disclosed
EP-1372647-A2 USE OF SUBSTITUTED IMIDAZO 1,2-A]-PYRIDINE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2004-01-02 EP disclosed
WO-2002080914-A2 USE OF SUBSTITUTED IMIDAZO[1,2-A]-PYRIDINE COMPOUNDS AS MEDICAMENTS Grünenthal GmbH (DE) 2002-10-17 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-20040142961-A1 Utilization of substituted imidazo[1,2-a]-pyridine compounds in pharmaceutical formulations QDPR, PTGIS, DPYD CCR5 4218/4885GAA 372/4885PIK3CD 1253/4885

“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.