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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.47 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.43 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 SCHEMBL11847767 | 1.00 | SLC1A3 (0.47) | SLC1A3SLC1A2SLC1A1TDP1FFAR1 | |
| SCHEMBL23932603 | 0.81 | MEN1 (0.52) | SLC1A3SLC1A2SLC1A1TDP1FFAR1 | |
| SCHEMBL6677814 | 0.80 | CDYL (0.63) | SLC1A3SLC1A2SLC1A1TDP1FFAR1 | |
| SCHEMBL8927931 | 0.79 | FFAR1 (0.61) | SLC1A3SLC1A2SLC1A1TDP1FFAR1 | |
| SCHEMBL10934493 | 0.77 | SLC1A3 (0.55) | SLC1A3SLC1A2SLC1A1TDP1FFAR1 | |
| SCHEMBL31453773 | 0.77 | CDYL (0.50) | SLC1A3SLC1A2SLC1A1TDP1FFAR1 | |
| SCHEMBL2639202 | 0.76 | EPHX1 (0.52) | SLC1A3SLC1A2SLC1A1TDP1FFAR1 | |
| SCHEMBL2639206 | 0.76 | EPHX1 (0.52) | SLC1A3SLC1A2SLC1A1TDP1FFAR1 | |
| SCHEMBL2575317 | 0.76 | TDP1 (0.59) | SLC1A3SLC1A2SLC1A1TDP1FFAR1 | |
| SCHEMBL10934500 | 0.76 | SLC1A3 (0.50) | SLC1A3SLC1A2SLC1A1TDP1FFAR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3988341-A | Esterification process | MERCK & CO., INC. (US) | 1976-10-26 | — | — | US | disclosed |