Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3945283

C[C@@H](NC/C=C/c1ccccc1)c1cccc2ccccc12.Cl

nearest known ligand 0.48

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
▸ CASR known ✓ P41180 8/20 0.48
▸ ADRA2C known ✓ P18825 3/20 0.43
▸ SLC6A2 known ✓ P23975 3/20 0.43
▸ SLC6A4 known ✓ P31645 3/20 0.43
▸ HTR2A known ✓ P28223 2/20 0.43
▸ OPRK1 known ✓ P41145 2/20 0.43
▸ SIGMAR1 known ✓ Q99720 2/20 0.43
▸ DRD2 known ✓ P14416 2/20 0.43
▸ SLC6A3 known ✓ Q01959 2/20 0.43
▸ KCNH2 known ✓ Q12809 2/20 0.43
▸ HTR2C known ✓ P28335 2/20 0.43
▸ OPRM1 known ✓ P35372 2/20 0.43
▸ DRD3 known ✓ P35462 2/20 0.43
▸ ADRA1A known ✓ P35348 1/20 0.43
▸ HTR1A known ✓ P08908 1/20 0.43
▸ HRH2 known ✓ P25021 1/20 0.43
▸ HTR1D known ✓ P28221 1/20 0.43
▸ HTR7 known ✓ P34969 1/20 0.43
▸ ADRA1B known ✓ P35368 1/20 0.43
▸ HTR2B known ✓ P41595 1/20 0.43

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 SCHEMBL3946213 1.00 CASR (0.48) CASRATML3MBTL1ADRA2CSLC6A2
SCHEMBL15572055 0.99 CASR (0.47) CASRATML3MBTL1ADRA2CSLC6A2
SCHEMBL13077605 0.99 CASR (0.47) CASRATML3MBTL1ADRA2CSLC6A2
SCHEMBL17291669 0.99 CASR (0.47) CASRATML3MBTL1ADRA2CSLC6A2
SCHEMBL17291667 0.99 CASR (0.47) CASRATML3MBTL1ADRA2CSLC6A2
SCHEMBL13077942 0.89 CASR (0.44) CASRADRA2CSLC6A2SLC6A4HTR2A
SCHEMBL13077931 0.88 CASR (0.43) CASRADRA2CSLC6A2SLC6A4DRD2
SCHEMBL13077834 0.88 CASR (0.43) CASRADRA2CSLC6A2SLC6A4HTR2A
SCHEMBL13077591 0.88 CASR (0.43) CASRADRA2CSLC6A2SLC6A4HTR2A
SCHEMBL5501489 0.87 CASR (0.45) CASRADRA2CSLC6A2SLC6A4HTR2A

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
EP-1770083-B1 Inorganic ion receptor-active compounds NPS PHARMA INC (US) 2009-04-29 — — EP disclosed
EP-1770083-A1 Inorganic ion receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2007-04-04 — — EP disclosed
EP-1258471-B1 Inorganic ion receptor-active compounds NPS PHARMA INC (US) 2007-01-24 — — EP disclosed
US-6710088-B2 CAN MIMIC OR BLOCK THE EFFECT OF EXTRACELLULAR CALCIUM ON A CELL SURFACE CALCIUM RECEPTOR; FOR USE IN THERAPY NPS PHARMACEUTICALS, INC. 2004-03-23 — — US disclosed
EP-0907631-B1 INORGANIC ION RECEPTOR-ACTIVE COMPOUNDS NPS PHARMA INC (US) 2003-06-18 — — EP disclosed
US-20030008876-A1 Inorganic ion receptor-active compounds NPS PHARMACEUTICALS, INC. 2003-01-09 — — US disclosed
EP-1258471-A2 Inorganic ion receptor-active compounds NPS PHARMACEUTICALS, INC. (US) 2002-11-20 — — EP disclosed
US-6342532-B1 ANTIARTHRITIC, HYPOTENSIVE AGENTS FOR UROGENITAL AND GLANDULAR DISORDERS; CALCIUM CHANNELS MODULATORS NPS PHARMACEUTICALS, INC. 2002-01-29 — — US disclosed
US-5981599-A COMPOUNDS ABLE TO MODULATE ONE OR MORE ACTIVITIES OF AN INORGANIC ION RECEPTOR AND METHODS FOR TREATING HYPERPARATHYROIDISM, PAGET'S DISEASE, HYPERCALCEMIA MALIGNANCY, OSTEOPOROSIS, HYPERTENSION NPS PHARMACEUTICALS, INC. (US) 1999-11-09 — — 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 (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-20030008876-A1 Inorganic ion receptor-active compounds CASR, TRPM6, TRPM8 CASR 1/4885ADRA2C 746/4885SLC6A2 976/4885

“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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