Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2511527

Cl.Cl.Cl.NCCNC[C@@H](N)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

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
CHRM2 known ✓ P08172 1/20 0.47
DPP4 known ✓ P27487 1/20 0.42
CA2 known ✓ P00918 1/20 0.40
KCNH2 known ✓ Q12809 1/20 0.39
HDAC3 known ✓ O15379 1/20 0.39
HDAC1 known ✓ Q13547 1/20 0.39
HDAC2 known ✓ Q92769 1/20 0.39
HDAC8 known ✓ Q9BY41 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.47
IDO1 P14902 3/20 0.43
DPP7 Q9UHL4 1/20 0.42
MC4R P32245 1/20 0.41
MMP2 P08253 3/20 0.40
LMNA P02545 1/20 0.40
KAT2B Q92831 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA4 P22748 1/20 0.40
MEN1 O00255 1/20 0.39
NOS3 P29474 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 SCHEMBL2511528 1.00 LOXL2 (0.47) LOXL2CHRM2IDO1DPP4DPP7
SCHEMBL4092879 0.99 LOXL2 (0.49) LOXL2CHRM2IDO1DPP4DPP7
SCHEMBL6523856 0.99 LOXL2 (0.49) LOXL2CHRM2IDO1DPP4DPP7
SCHEMBL4104161 0.99 LOXL2 (0.49) LOXL2CHRM2IDO1DPP4DPP7
SCHEMBL12793699 0.93 CHRM2 (0.49) LOXL2CHRM2IDO1DPP4DPP7
SCHEMBL17848993 0.88 LOXL2 (0.44) LOXL2CHRM2IDO1DPP4DPP7
SCHEMBL8829958 0.85 LOXL2 (0.50) LOXL2CHRM2IDO1MC4RMMP2
Hydrochloric Acid SCHEMBL5096882 0.84 LOXL2 (0.46) LOXL2CHRM2IDO1MC4RMMP2
SCHEMBL3779820 0.83 CHRM2 (0.44) LOXL2CHRM2IDO1DPP4DPP7
SCHEMBL5099679 0.83 LOXL2 (0.47) LOXL2CHRM2IDO1MC4RMMP2

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
US-9386938-B2 Methods for collagen imaging Collagen Medical, LLC (US) 2016-07-12 US disclosed
US-20120114557-A1 Methods for Collagen Imaging Collagen Medical, LLC (US) 2012-05-10 US disclosed
US-8034898-B2 Methods of collagen imaging Collagen Medical, LLC (US) 2011-10-11 US disclosed
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING EPIX PHARMACEUTICALS, INC. 2008-03-06 US disclosed
US-20080044360-A1 METHODS OF COLLAGEN IMAGING EPIX PHARMACEUTICALS, INC. 2008-02-21 US disclosed
US-20070293656-A1 COLLAGEN BINDING PEPTIDES EPIX PHARMACEUTICALS, INC. 2007-12-20 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 (4 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-20120114557-A1 Methods for Collagen Imaging COL14A1, COL2A1, COL1A1 CHRM2 4424/4885DPP4 1338/4885CA2 1658/4885
US-20080058636-A1 METHODS OF MYOCARDIAL IMAGING FABP3, TNNI3, TNNT2 CHRM2 3081/4885DPP4 470/4885CA2 1532/4885
US-20080044360-A1 METHODS OF COLLAGEN IMAGING COL14A1, COL2A1, COL1A1 CHRM2 4446/4885DPP4 1395/4885CA2 1731/4885
US-20070293656-A1 COLLAGEN BINDING PEPTIDES COL14A1, COL2A1, COL1A1 CHRM2 4600/4885DPP4 1641/4885CA2 1885/4885

“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.