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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.35 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.34 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.33 |
| ▸ | DRD1 known ✓ | P21728 | 1/20 | 0.33 |
| ▸ | HTR1A known ✓ | P08908 | 1/20 | 0.33 |
| ▸ | BCHE | P06276 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 4/20 | 0.39 |
| ▸ | ACHE | P22303 | 4/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | F3 | P13726 | 3/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
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 SCHEMBL7477756 | 1.00 | BCHE (0.39) | BCHEMAOAACHEMAOBMEN1 | |
| SCHEMBL7484619 | 0.94 | BCHE (0.38) | BCHEMAOAACHEMAOBMEN1 | |
| Fumaric Acid SCHEMBL7480474 | 0.85 | SLC6A2 (0.39) | BCHEMAOAACHEMAOBSLC6A2 | |
| Fumaric Acid SCHEMBL7480472 | 0.85 | SLC6A2 (0.39) | BCHEMAOAACHEMAOBSLC6A2 | |
| SCHEMBL7480200 | 0.79 | ACHE (0.41) | BCHEMAOAACHEMAOBDRD2 | |
| SCHEMBL7489742 | 0.78 | MEN1 (0.39) | MEN1KMT2ADRD2HTR1A | |
| SCHEMBL7477389 | 0.78 | KMT2A (0.53) | BCHEMAOAACHEMAOBMEN1 | |
| SCHEMBL7475137 | 0.78 | KMT2A (0.53) | BCHEMAOAACHEMAOBMEN1 | |
| SCHEMBL7478121 | 0.75 | DRD1 (0.44) | BCHEACHEMEN1KMT2AF3 | |
| Bromide SCHEMBL7473644 | 0.74 | DRD1 (0.43) | BCHEACHEMEN1KMT2AF3 |
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-0950056-B1 | N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS | AVENTIS PHARMA INC (US) | 2002-09-18 | — | — | EP | claimed |
| EP-0950056-A2 | N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-20 | — | — | EP | claimed |
| WO-1998029407-A2 | N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION | HOECHST MARION ROUSSEL, INC. (US) | 1998-07-09 | — | — | WO | claimed |
| EP-0950056-B1 | N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS | AVENTIS PHARMA INC (US) | 2002-09-18 | — | — | EP | disclosed |
| US-6004977-A | ANTIDEPRESSANTS, COGNITION ACTIVATORS, AND ALZHEIMER'S DISEASE TREATMENT | HOECHST MARION ROUSSEL, INC. (US) | 1999-12-21 | — | — | US | disclosed |
| EP-0950056-A2 | N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-20 | — | — | EP | disclosed |
| WO-1998029407-A2 | N-(PYRIDINYLAMINO)ISOINDOLINES FOR TREATING ALZHEIMER'S AND DEPRESSION | HOECHST MARION ROUSSEL, INC. (US) | 1998-07-09 | — | — | WO | disclosed |