Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2954473

Cl.NC(=O)c1ccc(N)c(N)c1

nearest known ligand 0.52

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
LCK known ✓ P06239 1/20 0.47
PARP1 known ✓ P09874 6/20 0.45
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TSHR P16473 4/20 0.44
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
NNMT P40261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PARP10 Q53GL7 2/20 0.43
KMT2A Q03164 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP16 Q8N5Y8 1/20 0.43
PARP11 Q9NR21 1/20 0.43
PARP4 Q9UKK3 1/20 0.43
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 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
SCHEMBL1428434 0.98 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4ELCKPARP1
SCHEMBL8412857 0.98 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4ELCKPARP1
Hydrochloric Acid SCHEMBL1600459 0.83 MAPT (0.55) ALDH1A1HSD17B10TSHRMAPTTDP1
Hydrochloric Acid SCHEMBL4653034 0.81 CDC25B (0.59) ALDH1A1HSD17B10KDM4ETSHRMAPT
Hydrochloric Acid SCHEMBL828086 0.81 CDC25B (0.59) ALDH1A1HSD17B10KDM4ETSHRMAPT
SCHEMBL14566191 0.80 KMT2A (0.58) KDM4ETDP1KMT2ACYP3A4
SCHEMBL680167 0.80 MAPT (0.57) ALDH1A1HSD17B10TSHRMAPTTDP1
SCHEMBL3015286 0.79 LCK (0.55) ALDH1A1HSD17B10KDM4ELCKPARP1
SCHEMBL5595306 0.79 LCK (0.55) ALDH1A1HSD17B10KDM4ELCKPARP1
SCHEMBL1805758 0.79 IKBKB (0.55) ALDH1A1HSD17B10KDM4ELCKPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) DYNAMIS THERAPEUTICS, INC. 2005-07-21 US claimed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US claimed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US claimed
US-5476849-A Inhibiting advanced glycosylation and/or crosslinking of target protein THE ROCKEFELLER UNIVERSITY (US) 1995-12-19 US claimed
US-20100310482-A1 3-Deoxyglucosone And Skin DYNAMIS THERAPEUTICS, INC. (US) 2010-12-09 US disclosed
US-7749503-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2010-07-06 US disclosed
US-7622117-B2 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2009-11-24 US disclosed
US-20080292568-A1 3-Deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. (US) 2008-11-27 US disclosed
US-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin DYNAMIS THERAPEUTICS, INC. 2007-03-22 US disclosed
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof BROWN TRUMAN R 2006-04-27 US disclosed
US-20030219440-A1 3-deoxyglucosone and skin DYNAMIS THERAPEUTICS, INC. 2003-11-27 US disclosed
US-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed
US-5476849-A Inhibiting advanced glycosylation and/or crosslinking of target protein THE ROCKEFELLER UNIVERSITY (US) 1995-12-19 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 (6 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-20070065443-A1 Fructoseamine 3 kinase and the formation of collagen and elastin FN3K, PDXK, COLGALT1 LCK 1516/4885PARP1 1915/4885ALDH1A1 927/4885
US-20060089316-A1 Method for reducing a susceptibility to tumor formation induced by 3-deoxyglucosone and precursors thereof ALDOA, FBP1, GYS2 LCK 4636/4885PARP1 3646/4885ALDH1A1 450/4885
US-20100310482-A1 3-Deoxyglucosone And Skin DPM1, G6PD, UGGT1 LCK 2116/4885PARP1 3365/4885ALDH1A1 383/4885
US-20080292568-A1 3-Deoxyglucosone and skin DPM1, G6PD, UGGT1 LCK 2116/4885PARP1 3365/4885ALDH1A1 383/4885
US-20030219440-A1 3-deoxyglucosone and skin DPM1, G6PD, UGGT1 LCK 2116/4885PARP1 3365/4885ALDH1A1 383/4885
US-20050159383-A1 Administering enzyme inhibitors; wrinkling and aging resistance; prevents formation Advanced Glycation End Products (AGEs) AGER, GLA, GALE LCK 4671/4885PARP1 336/4885ALDH1A1 357/4885

“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.