Sugi Predict

Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3601018

COc1ccncc1[N+](=O)[O-].Cl

nearest known ligand 0.58

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
▸ GAA known ✓ P10253 2/20 0.52
▸ CA2 known ✓ P00918 1/20 0.45
▸ PDGFRB known ✓ P09619 1/20 0.43
▸ PDGFRA known ✓ P16234 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ HTT P42858 2/20 0.52
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ POLB P06746 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ RAB9A P51151 2/20 0.43
▸ NTSR1 P30989 1/20 0.43
▸ MEN1 O00255 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
SCHEMBL187850 0.98 ALDH1A1 (0.56) ALDH1A1TDP1GAAHTTMAPK1
SCHEMBL4594016 0.89 ALDH1A1 (0.47) ALDH1A1TDP1GAAHTTMAPK1
SCHEMBL2241497 0.84 ALDH1A1 (0.56) ALDH1A1TDP1GAAHTTMAPK1
Hydrochloric Acid SCHEMBL2967978 0.81 LMNA (0.49) ALDH1A1GAAHTTMAPK1KMT2A
SCHEMBL6117681 0.79 PDK1 (0.47) ALDH1A1TDP1GAAHTTMAPK1
SCHEMBL3488943 0.79 ALDH1A1 (0.50) ALDH1A1GAAHTTMAPK1KMT2A
SCHEMBL19172441 0.79 NPC1 (0.50) ALDH1A1GAAHTTMAPK1KMT2A
Hydrochloric Acid SCHEMBL3276016 0.78 ALDH1A1 (0.49) ALDH1A1GAAHTTMAPK1KMT2A
SCHEMBL5656353 0.77 MAPT (0.56) ALDH1A1TDP1GAAHTTMAPK1
SCHEMBL16702893 0.76 ALDH1A1 (0.41) ALDH1A1GAAHTTMAPK1KMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines GlaxoSmithKline, LLC 2012-09-20 — — US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 — — US disclosed
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-12-24 — — US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 — — US disclosed
US-7598251-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2009-10-06 — — US disclosed
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes GLAXOSMITHKLINE LLC 2009-09-17 — — US disclosed
US-20090062307-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-05 — — US disclosed
US-7459454-B2 Aminopyrazine derivatives and compositions SMITHKLINE BEECHAM CORPORATION (US) 2008-12-02 — — US disclosed
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 — — EP disclosed
EP-1606266-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2008-06-25 — — EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 — — WO disclosed
US-20060084651-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-04-20 — — US disclosed
EP-1606266-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2005-12-21 — — EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 — — WO disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 — — US disclosed
EP-1490367-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-29 — — EP disclosed
WO-2004084813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-10-07 — — WO disclosed
WO-2003080610-A1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 — — WO disclosed
US-5723468-A COGNITION ACTIVATORS FOR MEMOY LOSS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-03 — — US disclosed
US-5571819-A Imidazopyridines as muscarinic agents WYETH 1996-11-05 — — 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 (7 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 GAA 4325/4885CA2 3065/4885PDGFRB 42/4885
US-20090062307-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS STK25, ABL1, STK35 GAA 2194/4885CA2 1477/4885PDGFRB 1197/4885
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 GAA 3689/4885CA2 747/4885PDGFRB 2243/4885
US-20060084651-A1 Chemical compounds STK25, MAP3K5, STK35 GAA 3094/4885CA2 643/4885PDGFRB 1431/4885
US-20090233955-A1 1H-Pyrrolo[2,3-B]Pyridnes SGK1, SGK2, SGK3 GAA 1725/4885CA2 2486/4885PDGFRB 944/4885
US-20120238588-A1 1H-Pyrrolo[2,3-B]Pyridines SGK1, SGK2, SGK3 GAA 1698/4885CA2 2003/4885PDGFRB 1005/4885
US-20090318472-A1 AMINOPYRAZINE DERIVATIVES AND COMPOSITIONS STK25, ABL1, STK35 GAA 2194/4885CA2 1477/4885PDGFRB 1197/4885

“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.