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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.37 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.37 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.37 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.37 |
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 SCHEMBL1254498 | 1.00 | CHKA (0.39) | CHKAMEN1KMT2ANPC1ALDH1A1 | |
| SCHEMBL5082279 | 0.99 | CHKA (0.39) | CHKAMEN1KMT2ANPC1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1253105 | 0.84 | FAAH (0.37) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| Hydrochloric Acid SCHEMBL1253109 | 0.84 | FAAH (0.37) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL5082718 | 0.83 | FAAH (0.38) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL5082706 | 0.83 | FAAH (0.38) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL1254616 | 0.82 | MEN1 (0.39) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL1254612 | 0.82 | MEN1 (0.39) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL725372 | 0.81 | PLAU (0.41) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL725373 | 0.81 | PLAU (0.41) | MEN1KMT2ANPC1ALDH1A1RAB9A |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110124633-A1 | Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy | BERMAN JUDD | 2011-05-26 | — | — | US | claimed |
| EP-1608377-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | AFFINIUM PHARM INC (CA) | 2008-10-01 | — | — | EP | claimed |
| US-20060183908-A1 | inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2006-08-17 | — | — | US | claimed |
| US-20060142265-A1 | Compositions comprising multiple bioactive agents, and methods of using the same | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2006-06-29 | — | — | US | claimed |
| EP-1575951-B1 | HETEROCYCLIC COMPOUNDS, METHODS OF MAKING THEM AND THEIR USE IN THERAPY | DEBIOPHARM INT SA (CH) | 2014-06-25 | — | — | EP | 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-20110124633-A1 | Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy | BERMAN JUDD | 2011-05-26 | — | — | 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-7790709-B2 | inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2010-09-07 | — | — | US | disclosed |
| EP-1608377-B1 | PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | AFFINIUM PHARM INC (CA) | 2008-10-01 | — | — | EP | disclosed |
| US-20060183908-A1 | inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2006-08-17 | — | — | 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 |
| EP-1608377-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | Affinium Pharmaceuticals, Inc. (CA) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004082586-A2 | PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS | AFFINIUM PHARMACEUTICALS, INC. (US) | 2004-09-30 | — | — | 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 (4 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-20060183908-A1 | inhibitors of bacterial enzymes such as (E)-3-(3,3-Dimethyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido [2,3-e][1,4]diazepin-7-yl)-N-methyl-N-(3-methyl-benzofuran-2-ylmethyl)acrylamide, used as antibiotics | AADAC, AZI2, DCXR | HTR2C 970/4885CHRM1 2260/4885HTR2A 1545/4885 |
| US-20110124633-A1 | Heterocyclic Compounds, Methods of Making Them and Their Use in Therapy | NQO1, AADAC, SDHA | HTR2C 1814/4885CHRM1 4222/4885HTR2A 2553/4885 |
| US-20120010127-A1 | Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same | DBI, SERPINB1, CTSF | HTR2C 4853/4885CHRM1 4825/4885HTR2A 4841/4885 |
| US-20060142265-A1 | Compositions comprising multiple bioactive agents, and methods of using the same | DBI, SERPINB1, CTSF | HTR2C 4853/4885CHRM1 4825/4885HTR2A 4841/4885 |
“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.