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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1237638 | 0.85 | THRB (0.43) | ALDH1A1TSHRTHRB | |
| SCHEMBL2939730 | 0.84 | THRB (0.44) | ALDH1A1TSHRTHRB | |
| Trimethylammonium SCHEMBL7158254 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TSHRTHRB | |
| Trimethylammonium SCHEMBL9567820 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TSHRTHRB | |
| SCHEMBL667786 | 0.81 | ALDH1A1 (0.62) | ALDH1A1TSHRTHRB | |
| Methacrylic Acid SCHEMBL6333244 | 0.79 | ALDH1A1 (0.60) | ALDH1A1TSHRTHRB | |
| Dimethylamine SCHEMBL28516615 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TSHRTHRB | |
| Methacrylic Acid SCHEMBL10809031 | 0.77 | ALDH1A1 (0.58) | ALDH1A1TSHRTHRB | |
| SCHEMBL1194149 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TSHRTHRB | |
| SCHEMBL14353766 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TSHRTHRB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2000025754-A2 | SOLID ORAL DOSAGE FORMS CONTAINING ALGINIC ACID AND FAMOTIDINE | MCNEIL-PPC, INC. (US) | 2000-05-11 | — | — | WO | disclosed |
| US-5980944-A | A SOLID ORAL DOSAGE FORM FOR THE TREATMENT OF GASTROINTESTINAL DISTRESS COMPRISING SIMETHICONE AND COATED ACTIVE GRANULES WITH A NONENTERIC POLYMER COATINGS IMPERMEABLE TO SIMETHICONE | MCNEIL-PPC, INC. (US) | 1999-11-09 | — | — | US | disclosed |
| US-5716641-A | SOLID DOSAGE FORM HAVING DIPHENOXYLATE OR LOPERAMIDE(OR DERIVATIVES) IN FIRST PART AND SIMETHICONE IN SECOND PART WHICH IS SEPARATED BY AN IMPERMEABLE POLYMERIC BARRIER, FOR ENHANCING THE DISSOLUTION PROFILE OF THE DRUG | MCNEIL-PPC, INC. (US) | 1998-02-10 | — | — | US | disclosed |
| EP-0571217-B1 | Novel simethicone containing pharmaceutical compositions for treating gastrointestinal distress | MCNEIL PPC INC (US) | 1997-11-19 | — | — | EP | disclosed |
| US-5679376-A | DIPHENOXYLATE, LOPERAMIDE, AND DERIVATIVES AS TREATMENT FOR GASTROINTESTINAL DISORDERS | MCNEIL-PPC, INC. (US) | 1997-10-21 | — | — | US | disclosed |
| US-5599577-A | DRUG DELIVERY; GASTROINTESTINAL DISORDERS | MCNEIL-PPC, INC. (US) | 1997-02-04 | — | — | US | disclosed |
| EP-0571217-A2 | Novel simethicone containing pharmaceutical compositions for treating gastrointestinal distress | McNEIL-PPC, INC. (US) | 1993-11-24 | — | — | EP | disclosed |