Known targets — ChEMBL curated mechanism
ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 SCHEMBL7691724 | 1.00 | KDM4E (0.51) | KDM4EALDH1A1GAAMEN1KMT2A | |
| SCHEMBL7081073 | 0.92 | TLR8 (0.41) | KDM4EALDH1A1GAAMEN1KMT2A | |
| SCHEMBL7081070 | 0.92 | TLR8 (0.41) | KDM4EALDH1A1GAAMEN1KMT2A | |
| SCHEMBL7086170 | 0.74 | KDM4E (0.45) | KDM4EALDH1A1GAAMEN1KMT2A | |
| Fumaric Acid SCHEMBL6962854 | 0.72 | CYP19A1 (0.49) | KDM4EALDH1A1MEN1KMT2ATBXAS1 | |
| Fumaric Acid SCHEMBL6962864 | 0.72 | CYP19A1 (0.49) | KDM4EALDH1A1MEN1KMT2ATBXAS1 | |
| SCHEMBL6963711 | 0.72 | ALDH1A1 (0.50) | KDM4EALDH1A1GAAMEN1KMT2A | |
| SCHEMBL6963715 | 0.72 | ALDH1A1 (0.50) | KDM4EALDH1A1GAAMEN1KMT2A | |
| SCHEMBL11077393 | 0.70 | KDM4E (0.51) | KDM4EALDH1A1MEN1KMT2ATBXAS1 | |
| SCHEMBL11077391 | 0.70 | KDM4E (0.51) | KDM4EALDH1A1MEN1KMT2ATBXAS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0974584-B1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-15 | — | — | EP | disclosed |
| US-6420375-B1 | ANTITUMOR | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-07-16 | — | — | US | disclosed |
| EP-0974584-A1 | FUSED RING COMPOUNDS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2000-01-26 | — | — | EP | disclosed |