Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6633931

Cl.Cl.NC(Cc1ccccc1)c1cccnc1

nearest known ligand 0.63

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
▸ SLC6A2 known ✓ P23975 2/20 0.52
▸ SLC6A4 known ✓ P31645 2/20 0.52
▸ SLC6A3 known ✓ Q01959 2/20 0.52
▸ KCNA5 known ✓ P22460 4/20 0.46
▸ KCNH2 known ✓ Q12809 2/20 0.46
▸ GRIN2D known ✓ O15399 1/20 0.45
▸ GRIN3B known ✓ O60391 1/20 0.45
▸ GRIN1 known ✓ Q05586 1/20 0.45
▸ GRIN2A known ✓ Q12879 1/20 0.45
▸ GRIN2B known ✓ Q13224 1/20 0.45
▸ GRIN2C known ✓ Q14957 1/20 0.45
▸ GRIN3A known ✓ Q8TCU5 1/20 0.45
▸ CYP2D6 P10635 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ CFTR P13569 1/20 0.52
▸ GOPC Q9HD26 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL2477113 0.98 CYP2D6 (0.55) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL9322352 0.90 CYP1A2 (0.50) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL8866594 0.88 CYP1A2 (0.51) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3282271 0.83 POLB (0.43) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4743433 0.83 CYP17A1 (0.50) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5231456 0.82 ADRB1 (0.57) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27276749 0.81 EPHX1 (0.58) CYP2D6CYP1A2CYP2C19SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL28839661 0.81 EPHX1 (0.58) CYP2D6CYP1A2CYP2C19SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL28974280 0.81 CYP19A1 (0.45) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL11408928 0.80 CFTR (0.62) SLC6A2SLC6A4SLC6A3CFTRGOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1896078-A Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-17 — — CN disclosed
CN-1264846-C Bicyclic pyrrolyl amides as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2006-07-19 — — CN disclosed
EP-1317459-B1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2004-04-07 — — EP disclosed
CN-1473163-A Bicyclic pyrrolyl amides as glycogen phosphorylase inhibitors — 2004-02-04 — — CN disclosed
US-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2003-12-18 — — US disclosed
EP-0278090-B1 2-Aminoacetamide pyridinyl derivatives FISONS CORP (US) 1994-01-26 — — EP disclosed
US-4769466-A 2-aminoacetamide pyridinyl derivatives PENNWALT CORPORATION (US) 1988-09-06 — — US disclosed
EP-0278090-A2 2-Aminoacetamide pyridinyl derivatives FISONS CORPORATION (US) 1988-08-17 — — EP 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-20030232875-A1 Bicyclic pyrrolyl amides as glucogen phosphorylase inhibitors GYS1, GYS2, PYGL SLC6A2 2711/4885SLC6A4 1153/4885SLC6A3 2387/4885

“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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