Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1640342

CN(C)CCOc1ccc(N)cc1Cl.Cl.Cl

nearest known ligand 0.49

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
GAA known ✓ P10253 2/20 0.46
GLA known ✓ P06280 1/20 0.46
HTR2A known ✓ P28223 2/20 0.43
SLC6A4 known ✓ P31645 1/20 0.43
HTR2C known ✓ P28335 1/20 0.43
MAOA known ✓ P21397 1/20 0.43
MAOB known ✓ P27338 1/20 0.43
HTR7 known ✓ P34969 1/20 0.42
KDR known ✓ P35968 1/20 0.42
ROCK2 known ✓ O75116 1/20 0.41
KDM4E B2RXH2 6/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46

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 SCHEMBL1641323 1.00 KDM4E (0.49) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL1641708 0.98 KDM4E (0.50) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL7783490 0.94 KDM4E (0.51) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL6816572 0.90 KDM4E (0.53) KDM4EALDH1A1LMNATDP1MAPT
SCHEMBL4632811 0.85 UTS2R (0.49) KDM4EALDH1A1MAPTGAAMAPK1
Hydrochloric Acid SCHEMBL4009662 0.84 MAOA (0.56) KDM4EALDH1A1TDP1MAPTKMT2A
SCHEMBL3857536 0.83 MAOA (0.57) KDM4EALDH1A1TDP1MAPTKMT2A
Hydrochloric Acid SCHEMBL2255351 0.82 KDM4E (0.62) KDM4EALDH1A1MAPTKMT2AGAA
SCHEMBL11756564 0.81 KDM4E (0.64) KDM4EALDH1A1MAPTKMT2AGAA
Hydrochloric Acid SCHEMBL1640581 0.81 KDM4E (0.46) KDM4EALDH1A1MAPTKMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 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 (1 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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 GAA 1735/4885GLA 4198/4885HTR2A 4446/4885

“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.