Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7473839

Cl.Cl.Cl.Cl.Cl.c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCCCC1

nearest known ligand 0.93

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 17)

geneUniProtsupporting neighboursconfidence
HRH3 known ✓ Q9Y5N1 3/20 0.90
CHRM2 known ✓ P08172 1/20 0.90
CHRM1 known ✓ P11229 1/20 0.90
ADRA2C known ✓ P18825 1/20 0.90
SIGMAR1 known ✓ Q99720 2/20 0.58
CXCR4 P61073 12/20 0.93
MEN1 O00255 1/20 0.90
CCR2 P41597 1/20 0.90
CXCL12 P48061 1/20 0.90
BLM P54132 1/20 0.90
KMT2A Q03164 1/20 0.90
TDP1 Q9NUW8 1/20 0.90
HRH4 Q9H3N8 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 1/20 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 SCHEMBL7474513 1.00 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7471461 1.00 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL414153 0.96 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7610931 0.96 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL6889125 0.96 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL7612104 0.96 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
Plerixafor SCHEMBL123040 0.95 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL14065686 0.95 CXCR4 (0.93) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL5611617 0.95 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL29490414 0.95 CXCR4 (1.00) CXCR4HRH3MEN1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002543126-A 2002-12-17 JP claimed
EP-1189609-A4 CXCR-4 RECEPTOR ANTAGONISTS - THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2002-10-30 EP claimed
EP-1189609-A1 CXCR-4 RECEPTOR ANTAGONISTS - THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2002-03-27 EP claimed
WO-2000066112-A1 CXCR-4 RECEPTOR ANTAGONISTS - THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-09 WO claimed
US-20020107196-A1 Method for inducing chemotaxis in endothelial cells by administering stromal cell derived factor-1alpha SMITHKLINE BEECHAM CORPORATION 2002-08-08 US disclosed
US-20020107195-A1 Method for inducing chemotaxis in endothelial cells by administering stromal cell derived factor-1alpha SMITHKLINE BEECHAM CORPORATION 2002-08-08 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-20020107196-A1 Method for inducing chemotaxis in endothelial cells by administering stromal cell derived factor-1alpha CXCL12, CXCR4, CCL2 HRH3 1797/4885CHRM2 4664/4885CHRM1 4652/4885
US-20020107195-A1 Method for inducing chemotaxis in endothelial cells by administering stromal cell derived factor-1alpha CXCL12, CXCR4, CCL2 HRH3 1797/4885CHRM2 4664/4885CHRM1 4652/4885

“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.