Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3848508

Cl.O=C(CN1C=CN(c2ccccc2)C1)c1ccccc1

nearest known ligand 0.46

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
SLC6A4 known ✓ P31645 1/20 0.39
SLC6A3 known ✓ Q01959 1/20 0.39
GSK3B P49841 4/20 0.46
GSK3A P49840 2/20 0.46
ALDH1A1 P00352 4/20 0.45
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
CES1 P23141 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 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
Hydrochloric Acid SCHEMBL3845643 0.91 GRIN2B (0.44) GSK3BGSK3AALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL3851017 0.89 NPC1 (0.41) GSK3BGSK3AALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL3854380 0.87 HTR1A (0.49) ALDH1A1POLBKDM4EMAPTRAB9A
Hydrochloric Acid SCHEMBL3854520 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
Bromide SCHEMBL6074363 0.83 ALDH1A1 (0.49) GSK3BGSK3AALDH1A1SMN1; SMN2KDM4E
SCHEMBL28953119 0.82 GRIN2B (0.49) ALDH1A1POLBSMN1; SMN2KDM4EMAPT
SCHEMBL29793985 0.82 GRIN2B (0.49) ALDH1A1POLBSMN1; SMN2KDM4EMAPT
Hydrochloric Acid SCHEMBL3845432 0.79 ALDH1A1 (0.43) GSK3BGSK3AALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10526726 0.79 KMT2A (0.43) GSK3BGSK3AALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3846002 0.78 ALDH1A1 (0.56) GSK3BALDH1A1POLBSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2085086-A2 Method for treating congestive heart failure or diabetic nephropathy Synvista Therapeutics, Inc. (US) 2009-08-05 EP disclosed
US-20090124673-A1 Method for treating diabetic nephropathy SYNVISTA THERAPEUTICS , INC. (US) 2009-05-14 US disclosed
US-20090124674-A1 Method for treating congestive heart failure SYNVISTA THERAPEUTICS, INC. (US) 2009-05-14 US disclosed
US-7432254-B2 Method for treating glaucoma IC SYNVISTA THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents SYNVISTA THERAPEUTICS, INC. 2007-02-22 US disclosed
US-7166625-B2 Method for treating fibrotic diseases and other indications ALTEON, INC. (US) 2007-01-23 US disclosed
EP-1305024-A4 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC ALTEON INC (US) 2006-03-22 EP disclosed
EP-1353669-A4 METHOD FOR TREATING GLAUCOMA IB ALTEON INC (US) 2005-10-19 EP disclosed
US-20040235837-A1 Method for treating fibrotic diseases or other indications IE SYNVISTA THERAPEUTICS, INC. 2004-11-25 US disclosed
EP-1353669-A1 METHOD FOR TREATING GLAUCOMA IB Alteon, Inc. (US) 2003-10-22 EP disclosed
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents ALTEON, INC. 2003-09-18 US disclosed
EP-1305024-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC Alteon, Inc. (US) 2003-05-02 EP disclosed
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID SYNVISTA THERAPEUTICS, INC. 2002-11-28 US disclosed
US-20020160993-A1 Method for treating glaucoma IC SYNVISTA THERAPEUTICS, INC. 2002-10-31 US disclosed
WO-2002053158-A1 METHOD FOR TREATING GLAUCOMA IB ALTEON, INC. (US) 2002-07-11 WO disclosed
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC ALTEON, INC. 2002-06-06 US disclosed
WO-2002007725-A1 METHOD FOR TREATING FIBROTIC DISEASES OR OTHER INDICATIONS IC ALTEON, INC. (US) 2002-01-31 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 (8 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-20040235837-A1 Method for treating fibrotic diseases or other indications IE MMP1, COL1A1, COL2A1 SLC6A4 3935/4885SLC6A3 3734/4885GSK3B 3215/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 SLC6A4 1742/4885SLC6A3 1616/4885GSK3B 3887/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 SLC6A4 4390/4885SLC6A3 4138/4885GSK3B 3019/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 SLC6A4 4569/4885SLC6A3 4657/4885GSK3B 3390/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 SLC6A4 1042/4885SLC6A3 680/4885GSK3B 2713/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 SLC6A4 3822/4885SLC6A3 3325/4885GSK3B 2905/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX SLC6A4 4206/4885SLC6A3 4488/4885GSK3B 3483/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 SLC6A4 1523/4885SLC6A3 1336/4885GSK3B 3150/4885

“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.