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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A known ✓ | Q15858 | 1/20 | 0.38 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.36 |
| ▸ | TPH1 | P17752 | 12/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 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 SCHEMBL27504082 | 1.00 | TPH1 (0.53) | TPH1ALDH1A1SCN9ALMNASMN1; SMN2 | |
| SCHEMBL919730 | 0.99 | TPH1 (0.52) | TPH1ALDH1A1SCN9ALMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL918867 | 0.91 | TPH1 (0.52) | TPH1ALDH1A1SCN9ALMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27518697 | 0.90 | ALDH1A1 (0.54) | TPH1ALDH1A1LDHA | |
| Hydrochloric Acid SCHEMBL919058 | 0.90 | ALDH1A1 (0.54) | TPH1ALDH1A1LDHA | |
| SCHEMBL918869 | 0.89 | TPH1 (0.51) | TPH1ALDH1A1SCN9ALMNASMN1; SMN2 | |
| SCHEMBL919060 | 0.89 | ALDH1A1 (0.52) | TPH1ALDH1A1LDHA | |
| SCHEMBL1022271 | 0.87 | TPH1 (0.51) | TPH1ALDH1A1SCN9ALMNASMN1; SMN2 | |
| SCHEMBL1021631 | 0.87 | TPH1 (0.51) | TPH1ALDH1A1SCN9ALMNASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4648024 | 0.85 | TPH1 (0.48) | TPH1ALDH1A1SCN9ADPP4 |
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-20130289109-A1 | INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION | MITSUBISHI TANABE PHARMA CORP (JP) | 2013-10-31 | — | — | US | disclosed |
| US-8501809-B2 | Inhibitors of α4 mediated cell adhesion | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2013-08-06 | — | — | US | disclosed |
| US-20110077299-A1 | INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION | KAWAGUCHI TAKAYUKI | 2011-03-31 | — | — | US | disclosed |
| US-7872151-B2 | asthma, allergic conditions such as rhinitis, inflammatory bowel disease such as ulcerative colitis and Crohn's disease, rheumatoid arthritis, atopic dermatitis, multiple sclerosis; condensing N-(2,6-Difluorobenzoyl)-4-(2,6-dimethoxy-4-formal methylphenyl)-L-phenylalanine ethyl ester with ethanol | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2011-01-18 | — | — | US | disclosed |
| US-20100113820-A1 | INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION | KAWAGUCHI TAKAYUKI | 2010-05-06 | — | — | US | disclosed |
| US-7671090-B2 | Administering N-(2,6-Dichlorobenzoyl)-4-(2,6-dimethoxy-4-methoxymethylphenyl)-L-phenylalanine ethyl ester for therapy of asthma, inflammatory bowel disease, rheumatoid arthritis and atopic dermatitis | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-02 | — | — | US | disclosed |
| US-20090111879-A1 | INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION | KAWAGUCHI TAKAYUKI | 2009-04-30 | — | — | US | disclosed |
| US-7456217-B2 | Inhibitors of alpha4 mediated cell adhesion | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2008-11-25 | — | — | US | disclosed |
| US-7026501-B2 | Inhibitors of α4 mediated cell adhesion | TANABE SEIYAKU CO., LTD. (JP) | 2006-04-11 | — | — | US | disclosed |
| US-20050282900-A1 | Inhibitors of alpha4 mediated cell adhesion | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2005-12-22 | — | — | US | disclosed |
| CN-1229334-C | α4Inhibitors of mediated cell adhesion | TANABE SEIYAKU CO (JP) | 2005-11-30 | — | — | CN | disclosed |
| EP-1315694-B1 | INHIBITORS OF ALPHA 4 MEDIATED CELL ADHESION | TANABE SEIYAKU CO (JP) | 2005-04-06 | — | — | EP | disclosed |
| CN-1449377-A | Inhibitors of alpha4 mediated cell adhesion | TANABE SEIYAKU CO (JP) | 2003-10-15 | — | — | CN | disclosed |
| US-20030176498-A1 | Inhibitors of alpha4mediated cell adhesion | TANABE SEIYAKU CO., LTD. (JP) | 2003-09-18 | — | — | US | 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-20050282900-A1 | Inhibitors of alpha4 mediated cell adhesion | ITGB4, ITGA4, VCAM1 | SCN9A 727/4885DPP4 114/4885TPH1 3122/4885 |
| US-20130289109-A1 | INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION | ITGB4, ITGA4, VCAM1 | SCN9A 727/4885DPP4 114/4885TPH1 3122/4885 |
| US-20110077299-A1 | INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION | ITGB4, ITGA4, VCAM1 | SCN9A 727/4885DPP4 114/4885TPH1 3122/4885 |
| US-20100113820-A1 | INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION | ITGB4, ITGA4, VCAM1 | SCN9A 727/4885DPP4 114/4885TPH1 3122/4885 |
| US-20030176498-A1 | Inhibitors of alpha4mediated cell adhesion | ITGB4, VCAM1, EPCAM | SCN9A 584/4885DPP4 135/4885TPH1 3362/4885 |
| US-20090111879-A1 | INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION | ITGB4, ITGA4, VCAM1 | SCN9A 727/4885DPP4 114/4885TPH1 3122/4885 |
“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.