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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD known ✓ | O00329 | 3/20 | 0.43 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.42 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.42 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.35 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | RAD52 | P43351 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 SCHEMBL6619286 | 1.00 | SMN1; SMN2 (0.53) | SMN1; SMN2PIK3CDCHRM5CHRM3RAD52 | |
| Hydrochloric Acid SCHEMBL27682155 | 0.98 | SMN1; SMN2 (0.52) | SMN1; SMN2PIK3CDCHRM5CHRM3RAD52 | |
| SCHEMBL208440 | 0.97 | SMN1; SMN2 (0.50) | SMN1; SMN2PIK3CDCHRM5CHRM3RAD52 | |
| SCHEMBL6921848 | 0.97 | SMN1; SMN2 (0.50) | SMN1; SMN2PIK3CDCHRM5CHRM3RAD52 | |
| Ammonia Solution, Strong SCHEMBL1308109 | 0.95 | SMN1; SMN2 (0.48) | SMN1; SMN2PIK3CDCHRM5CHRM3RAD52 | |
| SCHEMBL9829105 | 0.89 | CXCR4 (0.50) | SMN1; SMN2PIK3CDCHRM5CHRM3CXCR4 | |
| Hydrochloric Acid SCHEMBL28025694 | 0.86 | SMN1; SMN2 (0.42) | SMN1; SMN2PIK3CDCHRM5CHRM3RAD52 | |
| SCHEMBL9059950 | 0.83 | — | — | |
| SCHEMBL13850118 | 0.83 | CXCR4 (0.43) | SMN1; SMN2PIK3CDCHRM5CHRM3CYP2D6 | |
| SCHEMBL14145045 | 0.82 | SMN1; SMN2 (0.40) | SMN1; SMN2PIK3CDCHRM5CHRM3RAD52 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0735031-B1 | N-acetylpiperazine derivative, antibacterial drug, and anti-ulcer drug | SHISEIDO CO LTD (JP) | 2002-01-23 | — | — | EP | disclosed |
| EP-0802196-B1 | Alkylenediamine derivatives as drugs for the treatment of ulcers and the inhibition of Helicobacter pylori | SHISEIDO CO LTD (JP) | 2001-08-29 | — | — | EP | disclosed |
| US-5814634-A | PEPTIC ULCERS, GASTRIC ULCERS | SHISEIDO CO. LTD. (JP) | 1998-09-29 | — | — | US | disclosed |
| US-5756505-A | N-acylpiperazine derivative, antibacterial drug and anti-ulcer drug | SHISEIDO CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0802196-A1 | Alkylenediamine derivative, antiulcer drug, and antibacterial drug | SHISEIDO COMPANY LIMITED (JP) | 1997-10-22 | — | — | EP | disclosed |
| EP-0735031-A1 | N-acetylpiperazine derivative, antibacterial drug, and anti-ulcer drug | SHISEIDO COMPANY LIMITED (JP) | 1996-10-02 | — | — | EP | disclosed |
| US-4563454-A | ASTHMA, RHINITIS, DERMATITIS | NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) | 1986-01-07 | — | — | US | disclosed |
| EP-0004000-B1 | NEW PROPANONE DERIVATIVES, PROCESS FOR PRODUCING THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES AS ACTIVE INGREDIENTS | NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) | 1984-11-28 | — | — | EP | disclosed |
| US-4277474-A | DERMATITIS, RHINITIS, ASTHMA | NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) | 1981-07-07 | — | — | US | disclosed |
| EP-0004000-A1 | New propanone derivatives, process for producing thereof and pharmaceutical compositions containing these derivatives as active ingredients | NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) | 1979-09-19 | — | — | EP | disclosed |