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)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.56 |
| ▸ | GAA known ✓ | P10253 | 2/20 | 0.51 |
| ▸ | GLA known ✓ | P06280 | 2/20 | 0.50 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.49 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.49 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.48 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.48 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.48 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.48 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.48 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.48 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.48 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.48 |
| ▸ | KCNH2 known ✓ | Q12809 | 1/20 | 0.48 |
| ▸ | NCF1 | P14598 | 1/20 | 0.96 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.62 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.58 |
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
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 SCHEMBL29209114 | 1.00 | NCF1 (0.96) | NCF1CYP1A2NR4A2ACHEBACE1 | |
| Hydrochloric Acid SCHEMBL27703457 | 1.00 | NCF1 (0.96) | NCF1CYP1A2NR4A2ACHEBACE1 | |
| SCHEMBL29557788 | 0.98 | NCF1 (1.00) | NCF1CYP1A2NR4A2ACHEBACE1 | |
| SCHEMBL1120035 | 0.98 | NCF1 (1.00) | NCF1CYP1A2NR4A2ACHEBACE1 | |
| Iodide SCHEMBL27942629 | 0.96 | NCF1 (0.96) | NCF1CYP1A2NR4A2ACHEBACE1 | |
| Iodide SCHEMBL27879134 | 0.94 | NCF1 (0.92) | NCF1CYP1A2NR4A2ACHEBACE1 | |
| Decane SCHEMBL27942633 | 0.86 | NCF1 (0.77) | NCF1CYP1A2NR4A2ACHEBACE1 | |
| Quinoline SCHEMBL28231960 | 0.85 | NCF1 (0.75) | NCF1CYP1A2NR4A2ACHEBACE1 | |
| SCHEMBL8209615 | 0.84 | NCF1 (0.73) | NCF1CYP1A2NR4A2ACHEBACE1 | |
| SCHEMBL5998804 | 0.82 | NCF1 (0.71) | NCF1CYP1A2NR4A2ACHEBACE1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0506207-B1 | Pharmaceutical vehicles for reducing transdermal flux | ACCESS PHARMA INC (US) | 1999-11-17 | — | — | EP | claimed |
| EP-0872248-A2 | Pharmaceutical vehicles for reducing transdermal flux | Access Pharmaceuticals, Inc. (US) | 1998-10-21 | — | — | EP | claimed |
| EP-0506207-A2 | Pharmaceutical vehicles for reducing transdermal flux | CHEMEX PHARMACEUTICALS, Inc. (US) | 1992-09-30 | — | — | EP | claimed |
| US-4895727-A | Using water soluble zinc compound | CHEMEX PHARMACEUTICALS, INC. (US) | 1990-01-23 | — | — | US | claimed |
| CN-107827814-B | Preparation method of dequalinium chloride crystal form A | 安徽恒星制药有限公司 | 2021-04-20 | — | — | CN | disclosed |
| CN-105859615-B | A kind of preparation method and intermediate of Dequalinium Chloride | 安徽恒星制药有限公司 | 2019-05-03 | — | — | CN | disclosed |
| CN-105919959-A | Dequalinium vaginal tablets and preparation method thereof | 安徽省逸欣铭医药科技有限公司 | 2016-09-07 | — | — | CN | disclosed |
| CN-105859615-A | Novel preparation method and novel intermediate of dequalinium chloride | 安徽省逸欣铭医药科技有限公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-101784276-A | Use of compounds for the preparation of antituberculosis agents | SUMMIT CORP PLC | 2010-07-21 | — | — | CN | disclosed |
| WO-2008144592-A1 | LIP BALM AND METHOD OF TREATING LIP CONDITIONS | ELBAUM DAVID (US) | 2008-11-27 | — | — | WO | disclosed |
| EP-0506207-B1 | Pharmaceutical vehicles for reducing transdermal flux | ACCESS PHARMA INC (US) | 1999-11-17 | — | — | EP | disclosed |
| EP-0872248-A2 | Pharmaceutical vehicles for reducing transdermal flux | Access Pharmaceuticals, Inc. (US) | 1998-10-21 | — | — | EP | disclosed |
| EP-0506207-A2 | Pharmaceutical vehicles for reducing transdermal flux | CHEMEX PHARMACEUTICALS, Inc. (US) | 1992-09-30 | — | — | EP | disclosed |
| US-4895727-A | Using water soluble zinc compound | CHEMEX PHARMACEUTICALS, INC. (US) | 1990-01-23 | — | — | US | disclosed |
| WO-1988003799-A1 | PHARMACEUTICAL VEHICLES FOR REDUCING TRANSDERMAL FLUX | CHEMEX PHARMACEUTICALS, INC. (US) | 1988-06-02 | — | — | WO | disclosed |
| EP-0221176-A4 | PHARMACEUTICAL VEHICLES FOR RECUCING TRANSDERMAL FLUX. | CHEMEX PHARMACEUTICALS INC (US) | 1988-01-25 | — | — | EP | disclosed |
| EP-0221176-A1 | PHARMACEUTICAL VEHICLES FOR RECUCING TRANSDERMAL FLUX. | CHEMEX PHARMACEUTICALS INC (US) | 1987-05-13 | — | — | EP | disclosed |
| WO-1986006586-A1 | PHARMACEUTICAL VEHICLES FOR RECUCING TRANSDERMAL FLUX | CHEMEX PHARMACEUTICALS, INC. (US) | 1986-11-20 | — | — | WO | disclosed |