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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA known ✓ | P10253 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CTSS | P25774 | 3/20 | 0.54 |
| ▸ | CTSK | P43235 | 2/20 | 0.54 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.52 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.49 |
| ▸ | P2RX7 | Q99572 | 7/20 | 0.48 |
| ▸ | FABP4 | P15090 | 1/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.47 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.47 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.47 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.47 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL422330 | 0.98 | TSHR (0.57) | TSHRCTSSCTSKCLCN2TAS2R14 | |
| SCHEMBL28311763 | 0.85 | CTSS (0.55) | CTSSCTSKP2RX7LMNAGAA | |
| Hydrochloric Acid SCHEMBL27843312 | 0.84 | CTSS (0.56) | CTSSCTSKP2RX7LMNAGAA | |
| SCHEMBL16127683 | 0.83 | CTSS (0.57) | CTSSCTSKP2RX7LMNAGAA | |
| SCHEMBL108509 | 0.83 | CTSS (0.54) | CTSSCTSKP2RX7LMNAGAA | |
| SCHEMBL9524633 | 0.81 | CTSS (0.56) | CTSSCTSKTAS2R14P2RX7LMNA | |
| SCHEMBL324095 | 0.81 | CTSS (0.57) | CTSSCTSKP2RX7LMNAGAA | |
| SCHEMBL3185133 | 0.81 | CTSS (0.52) | CTSSCTSKCLCN2P2RX7LMNA | |
| SCHEMBL30562236 | 0.81 | CTSS (0.56) | CTSSCTSKTAS2R14P2RX7LMNA | |
| SCHEMBL29542921 | 0.81 | CTSS (0.57) | CTSSCTSKP2RX7LMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-8513246-B2 | Use of N-heterocyclylmethylbenzamides in therapeutics | SANOFI (FR) | 2013-08-20 | — | — | US | disclosed |
| US-20100267766-A1 | DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2010-10-21 | — | — | US | disclosed |
| US-7776880-B2 | Derivatives of pyrrolizine, indolizine and quinolizine, preparation thereof and therapeutic use thereof | SANOFI-AVENTIS (FR) | 2010-08-17 | — | — | US | disclosed |
| US-20100022548-A1 | USE OF N-HETEROCYCLYLMETHYLBENZAMIDES IN THERAPEUTICS | SANOFI-AVENTIS (FR) | 2010-01-28 | — | — | US | disclosed |
| US-7619089-B2 | Derivatives of N-heterocyclylmethylbenzamides, preparation method thereof and application of same in therapeutics | SANOFI-AVENTIS (FR) | 2009-11-17 | — | — | US | disclosed |
| US-20090258899-A1 | DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI-AVENTIS (FR) | 2009-10-15 | — | — | US | disclosed |
| US-20080070941-A1 | DERIVATIVES OF N-HETEROCYCLYLMETHYLBENZAMIDES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS | SANOFI-AVENTIS (FR) | 2008-03-20 | — | — | US | disclosed |
| US-7288656-B2 | Derivatives of N-heterocyclylmethylbenzamides, preparation method thereof and application of same in therapeutics | SANOFI-AVENTIS (FR) | 2007-10-30 | — | — | US | disclosed |
| US-20060264441-A1 | Derivatives of N-heterocyclylmethylbenzamides, prepartion method thereof and application of same in therapeutics | SANOFI-AVENTIS (FR) | 2006-11-23 | — | — | US | disclosed |
| WO-2005073193-A1 | VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS | AMGEN INC. (US) | 2005-08-11 | — | — | 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-20100022548-A1 | USE OF N-HETEROCYCLYLMETHYLBENZAMIDES IN THERAPEUTICS | NMBR, EGLN2, KRAS | GAA 323/4885TSHR 739/4885CTSS 542/4885 |
| US-20090258899-A1 | DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | INMT, IDO1, NQO2 | GAA 2074/4885TSHR 2363/4885CTSS 3717/4885 |
| US-20080070941-A1 | DERIVATIVES OF N-HETEROCYCLYLMETHYLBENZAMIDES, PREPARATION METHOD THEREOF AND APPLICATION OF SAME IN THERAPEUTICS | HNMT, CCKBR, CNR2 | GAA 1167/4885TSHR 1259/4885CTSS 1592/4885 |
| US-20060264441-A1 | Derivatives of N-heterocyclylmethylbenzamides, prepartion method thereof and application of same in therapeutics | HNMT, CCKBR, CNR2 | GAA 790/4885TSHR 1642/4885CTSS 1173/4885 |
| US-20100267766-A1 | DERIVATIVES OF PYRROLIZINE, INDOLIZINE AND QUINOLIZINE, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | INMT, IDO1, NQO2 | GAA 2074/4885TSHR 2363/4885CTSS 3717/4885 |
“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.