Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2356397

Cc1cc(C#N)cc(C)c1NN.Cl

nearest known ligand 0.39

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 1/20 0.39
▸ TTR known ✓ P02766 2/20 0.35
▸ ESR1 known ✓ P03372 1/20 0.31
▸ CHRM2 known ✓ P08172 1/20 0.31
▸ ADRA2A known ✓ P08913 1/20 0.31
▸ CHRM1 known ✓ P11229 1/20 0.31
▸ DRD1 known ✓ P21728 1/20 0.31
▸ PTGS1 known ✓ P23219 1/20 0.31
▸ SLC6A2 known ✓ P23975 1/20 0.31
▸ OPRM1 known ✓ P35372 1/20 0.31
▸ KCNH2 known ✓ Q12809 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALB P02768 2/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ ABCC3 O15438 1/20 0.31

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
SCHEMBL14647643 0.79 NOTUM (0.37) KDM4ELMNAGAAMAPT
SCHEMBL24418452 0.77 TTR (0.38) ALDH1A1KDM4ELMNAGAATTR
SCHEMBL6954472 0.76 TTR (0.44) ALDH1A1TTRALBCYP2A6CYP2C9
Hydrochloric Acid SCHEMBL2279578 0.74 KDM4E (0.39) ALDH1A1KDM4ELMNAGAAL3MBTL1
Hydrochloric Acid SCHEMBL2071013 0.74 RAPGEF4 (0.57) ALDH1A1LMNARAPGEF4
Hydrochloric Acid SCHEMBL14995304 0.74 ALDH1A1 (0.41) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL1182463 0.72 ALDH1A1 (0.50) ALDH1A1KDM4ETTRALBCYP2A6
SCHEMBL1484862 0.72 MAOA (0.46) ALDH1A1TTRALBCYP2A6CYP3A4
SCHEMBL12518215 0.71 KDM4E (0.40) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL27031418 0.71 KDM4E (0.40) ALDH1A1KDM4ELMNAGAAL3MBTL1

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-20130059896-A1 5-(1H-PYRAZOL-5-YL)THIAZOLE-BASED COMPOUNDS FOR THE TREATMENT OF DISEASES AND DISORDERS OF THE EYE LEXICON PHARMACEUTICALS, INC. 2013-03-07 — — US disclosed
CN-102711758-A 5-(1H-pyrazol-5-yl)thiazole-based compounds for the treatment of diseases and disorders of the eye LEXICON PHARMACEUTICALS INC 2012-10-03 — — CN disclosed
WO-2011091204-A1 5-(1H-PYRAZOL-5-YL)THIAZOLE-BASED COMPOUNDS FOR THE TREATMENT OF DISEASES AND DISORDERS OF THE EYE LEXICON PHARMACEUTICALS, INC. (US) 2011-07-28 — — 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-20130059896-A1 5-(1H-PYRAZOL-5-YL)THIAZOLE-BASED COMPOUNDS FOR THE TREATMENT OF DISEASES AND DISORDERS OF THE EYE LIMK2, LIMK1, EYA2 GAA 627/4885TTR 1556/4885ESR1 3767/4885

“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.

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