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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 6/20 | 0.40 |
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.40 |
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.38 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.36 |
| ▸ | RET known ✓ | P07949 | 1/20 | 0.36 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 known ✓ | P08173 | 1/20 | 0.36 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.36 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.36 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.36 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.36 |
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.36 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.36 |
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.36 |
| ▸ | ADRA1D known ✓ | P25100 | 1/20 | 0.36 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1254617 | 0.98 | HRH1 (0.41) | HRH1HTR2ACYP3A4MAPTKDM4E | |
| SCHEMBL6516873 | 0.83 | MAOA (0.41) | HRH1HTR2ACYP2D6CHRM2CHRM4 | |
| SCHEMBL27518334 | 0.77 | HSD11B1 (0.45) | SLC6A2MEN1KMT2ACHRM2CHRM4 | |
| SCHEMBL10928781 | 0.76 | MAOA (0.36) | HRH1CYP2D6CHRM2CHRM4CHRM5 | |
| SCHEMBL20922751 | 0.73 | HRH1 (0.51) | HRH1HTR2ASLC6A2NPSR1CYP2D6 | |
| SCHEMBL27485969 | 0.71 | PNMT (0.39) | MAPTKDM4ELMNAMEN1KMT2A | |
| SCHEMBL10773270 | 0.69 | MAOA (0.43) | MAPTKDM4ELMNASLC6A2MEN1 | |
| SCHEMBL5027873 | 0.68 | MAOA (0.46) | MAPTKDM4ELMNASLC6A2MEN1 | |
| SCHEMBL29795069 | 0.68 | MAOA (0.46) | MAPTKDM4ELMNASLC6A2MEN1 | |
| SCHEMBL10929589 | 0.67 | TAAR1 (0.50) | LMNACYP2D6CYP1A2ADRA2ATSHR |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8173646-B2 | FAB I inhibitors | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2012-05-08 | — | — | US | disclosed |
| US-20110190283-A1 | Fab I Inhibitors | DEBIOPHARM INTERNATIONAL SA (CH) | 2011-08-04 | — | — | US | disclosed |
| US-7790716-B2 | fatty acid biosynthesis inhibitors such as E)-3-(6-aminopyridin-3-yl)-N-methyl-N-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)acrylamide, used fro the treatment of bacterial infections; antibiotics | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2010-09-07 | — | — | US | disclosed |
| US-20090275572-A1 | FAB I INHIBITORS | AFFINIUM PHARMACEUTICALS, INC. | 2009-11-05 | — | — | US | disclosed |
| US-7557125-B2 | Fab I inhibitors | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2009-07-07 | — | — | US | disclosed |
| US-7524843-B2 | N-methyl-N-(1-methyl-1H-indol-3-ylmethyl)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylamide as an enzyme inhibitor for both Fab I and Fab K which are used in the biosynthesis of fatty acids; enoyl-acyl-carrier protein renamed Fab 1; bactericides; fungicides; Staphylococcus aureus; antibiotics | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2009-04-28 | — | — | US | disclosed |
| US-20080125423-A1 | Fab I Inhibitors | DEBIOPHARM INTERNATIONAL SA (CH) | 2008-05-29 | — | — | US | disclosed |
| US-7048926-B2 | Methods of agonizing and antagonizing FabK | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2006-05-23 | — | — | US | disclosed |
| EP-1330515-A4 | METHODS OF AGONIZING AND ANTAGONIZING FABK | AFFINIUM PHARM INC (CA) | 2005-12-07 | — | — | EP | disclosed |
| US-20050250810-A1 | FAB I inhibitors | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2005-11-10 | — | — | US | disclosed |
| CN-1197860-C | FAB I inhibitors | SMITHKLINE BEECHAM CORP (CA) | 2005-04-20 | — | — | CN | disclosed |
| US-6846819-B1 | Fab I inhibitors | AFFINIUM PHARMACEUTICALS, INC. (CA) | 2005-01-25 | — | — | US | disclosed |
| EP-1226138-B1 | FAB I INHIBITORS | AFFINIUM PHARM INC (CA) | 2004-12-29 | — | — | EP | disclosed |
| US-20040053814-A1 | Methods of agonizing and antagonizing FabK | DEBIOPHARM INTERNATIONAL SA (CH) | 2004-03-18 | — | — | US | disclosed |
| EP-1330515-A1 | METHODS OF AGONIZING AND ANTAGONIZING FABK | SmithKline Beecham Corporation (US) | 2003-07-30 | — | — | EP | disclosed |
| EP-1226138-A4 | FAB I INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2003-03-05 | — | — | EP | disclosed |
| CN-1378542-A | Antigen binding fragment I inhibitors | SMITHKLINE BEECHAM CORP (US) | 2002-11-06 | — | — | CN | disclosed |
| EP-1226138-A1 | FAB I INHIBITORS | SmithKline Beecham Corporation (US) | 2002-07-31 | — | — | EP | disclosed |
| WO-2002031128-A1 | METHODS OF AGONIZING AND ANTAGONIZING FABK | SMITHKLINE BEECHAM CORPORATION (US) | 2002-04-18 | — | — | WO | disclosed |
| WO-2001027103-A1 | FAB I INHIBITORS | SMITHKLINE BEECHAM CORPORATION (GB) | 2001-04-19 | — | — | 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 (5 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-20040053814-A1 | Methods of agonizing and antagonizing FabK | ANTXR2, FPR3, BDKRB2 | HRH1 695/4885HTR2A 767/4885SLC6A2 2896/4885 |
| US-20050250810-A1 | FAB I inhibitors | SERPINB1, TFPI, TFPI2 | HRH1 989/4885HTR2A 4855/4885SLC6A2 4464/4885 |
| US-20090275572-A1 | FAB I INHIBITORS | SERPINB1, TFPI, TFPI2 | HRH1 989/4885HTR2A 4855/4885SLC6A2 4464/4885 |
| US-20080125423-A1 | Fab I Inhibitors | SERPINB1, TFPI, TFPI2 | HRH1 989/4885HTR2A 4855/4885SLC6A2 4464/4885 |
| US-20110190283-A1 | Fab I Inhibitors | SERPINB1, TFPI, TFPI2 | HRH1 989/4885HTR2A 4855/4885SLC6A2 4464/4885 |
“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.