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 | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 2/20 | 0.35 |
| ▸ | HDAC4 known ✓ | P56524 | 2/20 | 0.35 |
| ▸ | HDAC1 known ✓ | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 2/20 | 0.35 |
| ▸ | HDAC2 known ✓ | Q92769 | 2/20 | 0.35 |
| ▸ | HDAC10 known ✓ | Q969S8 | 2/20 | 0.35 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 2/20 | 0.35 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 2/20 | 0.35 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 2/20 | 0.35 |
| ▸ | CA2 known ✓ | P00918 | 1/20 | 0.34 |
| ▸ | TTR known ✓ | P02766 | 1/20 | 0.34 |
| ▸ | MMP1 known ✓ | P03956 | 1/20 | 0.34 |
| ▸ | GLA known ✓ | P06280 | 1/20 | 0.34 |
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.34 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.34 |
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.41 |
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 SCHEMBL1093094 | 1.00 | RAB9A (0.43) | RAB9AP4HTMMAP4K4NPSR1AKR1B10 | |
| SCHEMBL1253151 | 0.99 | RAB9A (0.44) | RAB9AP4HTMMAP4K4NPSR1AKR1B10 | |
| SCHEMBL1253149 | 0.99 | RAB9A (0.44) | RAB9AP4HTMMAP4K4NPSR1AKR1B10 | |
| SCHEMBL2271256 | 0.82 | RAB9A (0.48) | RAB9AP4HTMNPSR1AKR1B10AKR1B1 | |
| SCHEMBL2271261 | 0.82 | RAB9A (0.48) | RAB9AP4HTMNPSR1AKR1B10AKR1B1 | |
| Hydrochloric Acid SCHEMBL5275045 | 0.78 | RAB9A (0.45) | RAB9AP4HTMNPSR1AKR1B10AKR1B1 | |
| Hydrochloric Acid SCHEMBL1254296 | 0.76 | ACHE (0.42) | RAB9AP4HTMNPSR1AKR1B10AKR1B1 | |
| Hydrochloric Acid SCHEMBL1254295 | 0.76 | ACHE (0.42) | RAB9AP4HTMNPSR1AKR1B10AKR1B1 | |
| Hydrochloric Acid SCHEMBL1253207 | 0.75 | ACHE (0.41) | RAB9AP4HTMIKBKETBK1PIM2 | |
| Hydrochloric Acid SCHEMBL1253202 | 0.75 | ACHE (0.41) | RAB9AP4HTMIKBKETBK1PIM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8153652-B2 | Fab I inhibitors | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2012-04-10 | — | — | US | disclosed |
| US-20120010127-A1 | Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same | BERMAN JUDD M (CA) | 2012-01-12 | — | — | US | disclosed |
| US-20110098277-A1 | Fab I Inhibitors | DEBIOPHARM INTERNATIONAL SA (CH) | 2011-04-28 | — | — | US | disclosed |
| US-7879872-B2 | comprising (E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide or pharmaceutically acceptable salts thereof; and gentamicin; wherein combination has an fractional inhibitory coconcentration index value of 0.3 against S. aureus 29213 | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2011-02-01 | — | — | US | disclosed |
| US-7741339-B2 | Fab I inhibitors | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2010-06-22 | — | — | US | disclosed |
| US-20090221699-A1 | E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. | DEBIOPHARM INTERNATIONAL SA (CH) | 2009-09-03 | — | — | US | disclosed |
| EP-1560584-B1 | FAB I INHIBITORS | AFFINIUM PHARM INC (CA) | 2009-01-14 | — | — | EP | disclosed |
| EP-1608377-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | AFFINIUM PHARM INC (CA) | 2008-10-01 | — | — | EP | disclosed |
| US-7250424-B2 | E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2007-07-31 | — | — | US | disclosed |
| US-20060142265-A1 | Compositions comprising multiple bioactive agents, and methods of using the same | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2006-06-29 | — | — | US | disclosed |
| US-20060116394-A1 | Fab I inhibitors | DEBIOPHARM INTERNATIONAL SA (CH) | 2006-06-01 | — | — | US | disclosed |
| US-7049310-B2 | Fab I inhibitors | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2006-05-23 | — | — | US | disclosed |
| EP-1608377-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | Affinium Pharmaceuticals, Inc. (CA) | 2005-12-28 | — | — | EP | disclosed |
| EP-1560584-A4 | FAB I INHIBITORS | AFFINIUM PHARM INC (CA) | 2005-10-12 | — | — | EP | disclosed |
| EP-1560584-A2 | FAB I INHIBITORS | Affinium Pharmaceuticals, Inc. (CA) | 2005-08-10 | — | — | EP | disclosed |
| WO-2004082586-A2 | PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | AFFINIUM PHARMACEUTICALS, INC. (US) | 2004-09-30 | — | — | WO | disclosed |
| US-20040147580-A1 | Fab I inhibitors | DEBIOPHARM INTERNATIONAL SA (CH) | 2004-07-29 | — | — | US | disclosed |
| WO-2003088897-A2 | FAB I INHIBITORS | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2003-10-30 | — | — | WO | 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 (6 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090221699-A1 | E)-N-methyl-N-(3-methylbenzofuran-2-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide, useful in the treatment bacterial infections. | ACR, NANP, MDN1 | HDAC3 1817/4885HDAC4 1238/4885HDAC1 735/4885 |
| US-20060116394-A1 | Fab I inhibitors | SERPINB1, TMBIM6, GDI2 | HDAC3 471/4885HDAC4 860/4885HDAC1 97/4885 |
| US-20120010127-A1 | Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same | DBI, SERPINB1, CTSF | HDAC3 240/4885HDAC4 235/4885HDAC1 82/4885 |
| US-20040147580-A1 | Fab I inhibitors | SERPINB1, TMBIM6, GDI1 | HDAC3 395/4885HDAC4 691/4885HDAC1 77/4885 |
| US-20060142265-A1 | Compositions comprising multiple bioactive agents, and methods of using the same | DBI, SERPINB1, CTSF | HDAC3 240/4885HDAC4 235/4885HDAC1 82/4885 |
| US-20110098277-A1 | Fab I Inhibitors | SERPINB1, TMBIM6, GDI2 | HDAC3 471/4885HDAC4 860/4885HDAC1 97/4885 |
“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.