Sugi Predict

Sugi Predict / Compounds / Hydrochloric Acid

Hydrochloric Acid

Hydrochloric Acid

SCHEMBL4814939

CCN(CC)CCOC(=O)Cl.Cl

nearest known ligand 0.50

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
▸ MAOA known ✓ P21397 2/20 0.46
▸ HTR3A known ✓ P46098 2/20 0.46
▸ HRH3 known ✓ Q9Y5N1 2/20 0.46
▸ CHRM2 known ✓ P08172 2/20 0.44
▸ CHRM3 known ✓ P20309 2/20 0.44
▸ SCN1A known ✓ P35498 1/20 0.44
▸ SCN2A known ✓ Q99250 1/20 0.44
▸ SCN3A known ✓ Q9NY46 1/20 0.44
▸ CHRM4 known ✓ P08173 1/20 0.44
▸ CHRM5 known ✓ P08912 1/20 0.44
▸ CHRM1 known ✓ P11229 1/20 0.44
▸ SCN5A known ✓ Q14524 1/20 0.43
▸ SCN9A known ✓ Q15858 1/20 0.43
▸ SCN10A known ✓ Q9Y5Y9 1/20 0.43
▸ HTR2C known ✓ P28335 1/20 0.43
▸ KCNH2 known ✓ Q12809 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ BLM P54132 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL8564402 0.98 LMNA (0.47) NPSR1CYP3A4BLMSMN1; SMN2ALDH1A1
SCHEMBL8561639 0.85 CHRM2 (0.45) NPSR1CYP3A4SMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL8399789 0.82 SCN5A (0.53) NPSR1CYP3A4BLMSMN1; SMN2ALDH1A1
SCHEMBL8565781 0.82 CYP2D6 (0.49) NPSR1CYP3A4ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL27973020 0.80 ALDH1A1 (0.50) NPSR1CYP3A4BLMSMN1; SMN2ALDH1A1
SCHEMBL25380908 0.79 LMNA (0.50) NPSR1CYP3A4BLMSMN1; SMN2ALDH1A1
SCHEMBL7058546 0.79 LMNA (0.50) NPSR1CYP3A4BLMSMN1; SMN2ALDH1A1
SCHEMBL454947 0.77 ALDH1A1 (0.50) NPSR1CYP3A4BLMSMN1; SMN2ALDH1A1
SCHEMBL14793306 0.77 LMNA (0.49) NPSR1CYP3A4BLMSMN1; SMN2ALDH1A1
SCHEMBL4410359 0.77 CYP2D6 (0.53) NPSR1CYP3A4BLMSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40183-E1 7-Substituted-9-substituted amino-6-demethyl-6-deoxytetracyclines WYETH HOLDINGS CORPORATION (US) 2008-03-25 — — US disclosed
US-RE40086-E1 Method for treating bacterial infection with novel 7-substituted-9-substituted amino 6-demethyl-6-deoxytetracyclines WYETH HOLDINGS CORPORATION (US) 2008-02-19 — — US disclosed
EP-0536515-B1 Novel 7-substituted-9-substituted amino-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 2001-12-19 — — EP disclosed
CN-1048240-C Novel T-substituted-9-substituted amino-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID CO (US) 2000-01-12 — — CN disclosed
US-5529990-A ANTIBIOTICS; USEFUL TO TREAT INFECTIONS CAUSED BY BACTERIAL ORGANISM, INCLUDING THOSE WHICH ARE TETRACYCLINE-RESISTANCE AMERICAN CYANAMID COMPANY (US) 1996-06-25 — — US disclosed
US-5530117-A ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1996-06-25 — — US disclosed
US-5494903-A 7-substituted-9-substituted amino-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1996-02-27 — — US disclosed
CN-1072172-A Novel 7-replacement-9-substituted-amino-6-demethyl-6-deoxidation tsiklomitsin AMERICAN CYANAMID CO (US) 1993-05-19 — — CN disclosed
EP-0536515-A1 Novel 7-substituted-9-substituted amino-6-demethyl-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1993-04-14 — — EP disclosed