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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 3/20 | 0.38 |
| ▸ | MAOA known ✓ | P21397 | 1/20 | 0.36 |
| ▸ | SRC known ✓ | P12931 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | TYR | P14679 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7546969 | 0.98 | POLB (0.49) | POLBMAOBKDM4ETYRLMNA | |
| Hydrochloric Acid SCHEMBL6992862 | 0.82 | POLB (0.47) | POLBMAOBKDM4ETYRLMNA | |
| SCHEMBL13555550 | 0.80 | POLB (0.45) | POLBKDM4ETYRLMNAHSD17B10 | |
| SCHEMBL17128901 | 0.80 | MAOB (0.41) | POLBMAOBKDM4ETYRLMNA | |
| SCHEMBL990461 | 0.79 | CYP1A2 (0.40) | POLBMAOBTYRLMNAMAOA | |
| Hydrochloric Acid SCHEMBL6989988 | 0.79 | MMP1 (0.39) | POLBMAOBKDM4ETYRMAOA | |
| SCHEMBL7554482 | 0.77 | MMP1 (0.40) | POLBMAOBKDM4ETYRMAOA | |
| SCHEMBL18680403 | 0.75 | KDM4E (0.42) | POLBKDM4EHSD17B10L3MBTL1ALDH1A1 | |
| SCHEMBL8102798 | 0.71 | POLB (0.44) | POLBKDM4ETYRLMNASRC | |
| SCHEMBL11926101 | 0.69 | TYR (0.40) | POLBMAOBKDM4ETYR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6506911-B2 | Reacting a 2-(1-hydroxyalkyl)-3-hydroxypyran-4(1H)one compound with benzaldehyde dimethyl acetal to form 8-oxo-4,8-dihydro-2-phenyl-4h(3,2-d)-m-dioxin, reacting it with an amine compound to form an intermediate, then reducing | BTG INTERNATIONAL LIMITED (GB) | 2003-01-14 | — | — | US | disclosed |
| EP-0984934-B1 | NOVEL ORALLY ACTIVE IRON (III) CHELATORS | BTG INTERNAT LTD COMPANY NO 26 (GB) | 2003-01-08 | — | — | EP | disclosed |
| US-6448273-B1 | SUCH AS 2,6-DIMETHOXYMETHYL-1-METHYL-3-BENZYLOXPYRIDIN-4(1H)-ONE; TREATING DISORDERS ASSOCIATED WITH IRON DISTRIBUTION AND IRON DEPENDANT PARASITES; REDUCED LEVELS OF ACTIVE AGENT; SELECTIVE TARGETING TO TISSUES AND LIVER; METABOLIC STABILITY | BTG INTERNATIONAL LIMITED (GB) | 2002-09-10 | — | — | US | disclosed |
| US-6335353-B1 | 3-HYDROXYPYRIDIN-4-ONE DERIVATIVE; IRON DEFICIENCY ANEMIA AND THALASSEMIA TREATMENT | BTG INTERNATIONAL LIMITED (GB) | 2002-01-01 | — | — | US | disclosed |
| EP-0984934-A1 | NOVEL ORALLY ACTIVE IRON (III) CHELATORS | BTG INTERNATIONAL LIMITED (Company No. 2664412) (GB) | 2000-03-15 | — | — | EP | disclosed |
| WO-1998054138-A1 | NOVEL ORALLY ACTIVE IRON (III) CHELATORS | BTG INTERNATIONAL LIMITED (GB) | 1998-12-03 | — | — | WO | disclosed |