Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3846002

Cl.O=C(CN1C=CN(Cc2ccccc2)C1)c1ccccc1

nearest known ligand 0.56

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
GRIN2B known ✓ Q13224 2/20 0.48
BCHE known ✓ P06276 2/20 0.45
ACHE known ✓ P22303 2/20 0.45
S1PR5 known ✓ Q9H228 1/20 0.43
ALDH1A1 P00352 5/20 0.56
MAPT P10636 4/20 0.47
MAPK1 P28482 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 2/20 0.47
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
TRPA1 O75762 1/20 0.42
GSK3B P49841 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
Bromide SCHEMBL6074363 0.87 ALDH1A1 (0.49) ALDH1A1MAPTMAPK1CYP3A4KMT2A
Hydrochloric Acid SCHEMBL3845432 0.83 ALDH1A1 (0.43) ALDH1A1GRIN2BMAPTMAPK1CYP3A4
SCHEMBL12220214 0.83 LMNA (0.50) ALDH1A1GRIN2BMAPTMAPK1CYP2D6
Bromide SCHEMBL2530948 0.81 LMNA (0.49) ALDH1A1GRIN2BMAPTMAPK1CYP2D6
Hydrochloric Acid SCHEMBL9343069 0.81 SIGMAR1 (0.50) ALDH1A1POLBGSK3BKDM4E
Hydrochloric Acid SCHEMBL10529156 0.80 KMT2A (0.41) ALDH1A1MAPTMAPK1CYP3A4KMT2A
Acetic Acid SCHEMBL28332665 0.80 CYP2D6 (0.49) ALDH1A1CYP2D6CYP2C19ACHES1PR5
Hydrochloric Acid SCHEMBL10526726 0.79 KMT2A (0.43) ALDH1A1GRIN2BMAPTMAPK1CYP3A4
SCHEMBL1044027 0.79 SIGMAR1 (0.52) ALDH1A1POLBGSK3BKDM4E
Hydrochloric Acid SCHEMBL3845535 0.79 HRH1 (0.50) ALDH1A1MAPTMAPK1CYP3A4KMT2A

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 14 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-20090124674-A1 Method for treating congestive heart failure SYNVISTA THERAPEUTICS, INC. (US) 2009-05-14 US disclosed
US-20090124673-A1 Method for treating diabetic nephropathy 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-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
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

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 GRIN2B 3921/4885BCHE 955/4885ACHE 1566/4885
US-20020160993-A1 Method for treating glaucoma IC CHAT, MYOC, GAP43 GRIN2B 977/4885BCHE 379/4885ACHE 32/4885
US-20020068729-A1 Method for treating fibrotic diseases or other indications IC MMP1, COL1A1, COL2A1 GRIN2B 3962/4885BCHE 727/4885ACHE 1413/4885
US-20030176426-A1 Method for treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, COL2A1 GRIN2B 4584/4885BCHE 1962/4885ACHE 2654/4885
US-20090124673-A1 Method for treating diabetic nephropathy REN, SLC5A2, SLC5A1 GRIN2B 2954/4885BCHE 1004/4885ACHE 1116/4885
US-20020177586-A1 Method for treating fibrotic diseases or other indications ID MMP1, COL1A1, COL2A1 GRIN2B 3684/4885BCHE 1152/4885ACHE 1945/4885
US-20070043016-A1 Method of treating fibrotic diseases or other indications with imidazolium agents MMP1, COL1A1, EPX GRIN2B 4685/4885BCHE 1935/4885ACHE 2361/4885
US-20090124674-A1 Method for treating congestive heart failure TNNI3, TNNT2, FABP3 GRIN2B 4086/4885BCHE 899/4885ACHE 657/4885

“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.