Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
The experimentally established mechanism targets of Fumaric 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 | |
|---|---|---|---|---|
| ▸ | EGFR known ✓ | P00533 | 3/20 | 0.39 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.44 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.44 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.36 |
| ▸ | SELE | P16581 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL6136892 | 1.00 | PDE4A (0.44) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL6136906 | 0.92 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL6136927 | 0.87 | PDE4A (0.54) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL6136766 | 0.81 | PDE4A (0.59) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL6136837 | 0.80 | PDE4A (0.59) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL6137156 | 0.79 | PDE4A (0.58) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL6136764 | 0.76 | PDE4A (0.57) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL6136881 | 0.76 | PDE4D (0.61) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL6136943 | 0.75 | PDE4A (0.53) | PDE4APDE4BPDE4CPDE4DEGFR | |
| SCHEMBL6136652 | 0.75 | PDE4A (0.55) | PDE4APDE4BPDE4CPDE4DEGFR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1120409-B1 | 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION | DAINIPPON PHARMACEUTICAL CO (JP) | 2005-01-26 | — | — | EP | disclosed |
| US-6765095-B2 | HETEROCYCLIC IMINES SUCH AS 2-PHENOXY-3-(3-(PYRIDIN-4-YL)-PROPOXY)PYRIDINE, FORMED BY ETHERIFICATION, AMINATION OR SULIFIDING, FOR USE AS PHOSPHODIESTERASE INHIBITORS | DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) | 2004-07-20 | — | — | US | disclosed |
| US-6683186-B2 | CONDENSATION, ETHERIFICATION; PHOSPHODIESTERASE INHIBITORS; ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS | DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) | 2004-01-27 | — | — | US | disclosed |
| US-20030199554-A1 | 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor | KAWASAKI MOTOJI (JP) | 2003-10-23 | — | — | US | disclosed |
| US-20030195232-A1 | 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor | KAWASAKI MOTOJI (JP) | 2003-10-16 | — | — | US | disclosed |
| US-6555557-B1 | 2-(3-chlorophenoxy)-3-(3-(3-hydroxypyridin-5-yl)propoxy) -pyridine, for example; phosphodiesterase IV inhibitors | DAINIPPON PHARMACEUTICAL COMPANY, LIMITED (JP) | 2003-04-29 | — | — | US | disclosed |
| EP-1120409-A1 | 2,3-DISUBSTITUTED PYRIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, DRUG COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES FOR THE PREPARATION | Dainippon Pharmaceutical Co., Ltd. (JP) | 2001-08-01 | — | — | 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 (2 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-20030199554-A1 | 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor | NOX1, CYP4A11, PDE12 | EGFR 4784/4885KMT2A 1966/4885PDE4A 16/4885 |
| US-20030195232-A1 | 2,3-Disubstituted pyridine derivative, process for the preparation thereof, pharmaceutical composition containing the same, and intermediate therefor | NOX1, CYP4A11, PDE12 | EGFR 4784/4885KMT2A 1966/4885PDE4A 16/4885 |
“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.