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 | |
|---|---|---|---|---|
| ▸ | MAPK14 known ✓ | Q16539 | 18/20 | 0.68 |
| ▸ | PRKD3 known ✓ | O94806 | 1/20 | 0.64 |
| ▸ | EGFR known ✓ | P00533 | 1/20 | 0.64 |
| ▸ | FLT4 known ✓ | P35916 | 1/20 | 0.64 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.64 |
| ▸ | ERBB4 known ✓ | Q15303 | 1/20 | 0.64 |
| ▸ | ALK known ✓ | Q9UM73 | 1/20 | 0.64 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.49 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.49 |
| ▸ | MAPK13 | O15264 | 2/20 | 0.64 |
| ▸ | MAPK12 | P53778 | 2/20 | 0.64 |
| ▸ | MAPK11 | Q15759 | 2/20 | 0.64 |
| ▸ | IKBKB | O14920 | 1/20 | 0.64 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | FRK | P42685 | 1/20 | 0.64 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.64 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.64 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL4259048 | 0.99 | MAPK14 (0.69) | MAPK14MAPK13MAPK12MAPK11IKBKB | |
| SCHEMBL4257741 | 0.91 | MAPK14 (0.82) | MAPK14MAPK13MAPK12MAPK11IKBKB | |
| SCHEMBL4268494 | 0.85 | MAPK14 (0.76) | MAPK14MAPK13MAPK12MAPK11IKBKB | |
| SCHEMBL4261794 | 0.85 | MAPK14 (0.67) | MAPK14MAPK13MAPK12MAPK11IKBKB | |
| Hydrochloric Acid SCHEMBL4265965 | 0.80 | MAPK14 (0.64) | MAPK14MAPK13MAPK12MAPK11IKBKB | |
| SCHEMBL28059092 | 0.78 | MAPK14 (0.52) | MAPK14MAPK13MAPK12MAPK11IKBKB | |
| SCHEMBL4266158 | 0.78 | MAPK14 (0.66) | MAPK14MAPK13MAPK12MAPK11IKBKB | |
| Tak-715 SCHEMBL29435089 | 0.78 | MAPK14 (1.00) | MAPK14MAPK13MAPK12MAPK11IKBKB | |
| Tak-715 SCHEMBL297487 | 0.78 | MAPK14 (1.00) | MAPK14MAPK13MAPK12MAPK11IKBKB | |
| Tak-715 SCHEMBL29350215 | 0.78 | MAPK14 (1.00) | MAPK14MAPK13MAPK12MAPK11IKBKB |
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-20090048307-A1 | 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of | OHKAWA SHIGENORI | 2009-02-19 | — | — | US | disclosed |
| US-7276527-B2 | 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-10-02 | — | — | US | disclosed |
| US-7199124-B2 | JNK inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-04-03 | — | — | US | disclosed |
| EP-1180518-B1 | 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2007-01-17 | — | — | EP | disclosed |
| US-7101899-B1 | 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-09-05 | — | — | US | disclosed |
| US-20060135566-A1 | 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof | OHKAWA SHIGENORI | 2006-06-22 | — | — | US | disclosed |
| WO-2006006691-A2 | SOLID DISPERSION OF A P38 MAP KINASE INHIBITOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-01-19 | — | — | WO | disclosed |
| US-20050080113-A1 | Medicinal compositions | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-04-14 | — | — | US | disclosed |
| US-20040097555-A1 | Concomitant drugs | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-05-20 | — | — | US | disclosed |
| US-20040063946-A1 | Jnk inhibitor | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2004-04-01 | — | — | US | disclosed |
| EP-1402900-A1 | MEDICINAL COMPOSITIONS | Takeda Chemical Industries, Ltd. (JP) | 2004-03-31 | — | — | EP | disclosed |
| EP-1364949-A1 | JNK INHIBITOR | Takeda Chemical Industries, Ltd. (JP) | 2003-11-26 | — | — | EP | disclosed |
| EP-1354603-A1 | CONCOMITANT DRUGS | Takeda Chemical Industries, Ltd. (JP) | 2003-10-22 | — | — | EP | disclosed |
| EP-1180518-A1 | 5-PYRIDYL-1,3-AZOLE COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-02-20 | — | — | EP | 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-20050080113-A1 | Medicinal compositions | TNF, TRAF6, MMP8 | MAPK14 50/4885PRKD3 237/4885EGFR 3900/4885 |
| US-20060135566-A1 | 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof | ADORA3, MAPK4, MAPK3 | MAPK14 47/4885PRKD3 191/4885EGFR 861/4885 |
| US-20040097555-A1 | Concomitant drugs | TNF, CHUK, CNKSR1 | MAPK14 29/4885PRKD3 478/4885EGFR 2539/4885 |
| US-20090048307-A1 | 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of | ADORA3, ADORA1, MAPK3 | MAPK14 73/4885PRKD3 172/4885EGFR 812/4885 |
| US-20040063946-A1 | Jnk inhibitor | MAPK1, MAPK7, MAP3K7 | MAPK14 14/4885PRKD3 408/4885EGFR 454/4885 |
“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.