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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 2/20 | 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 SCHEMBL29174531 | 1.00 | CYP3A4 (0.35) | CYP3A4SMN1; SMN2MEN1GMNNLMNA | |
| SCHEMBL17286013 | 0.87 | CHRNB4 (0.39) | CHRNB4CHRNA3 | |
| SCHEMBL29174517 | 0.87 | CHRNB4 (0.39) | CHRNB4CHRNA3 | |
| SCHEMBL29174518 | 0.87 | CHRNB4 (0.39) | CHRNB4CHRNA3 | |
| SCHEMBL16564667 | 0.81 | SLC6A2 (0.36) | CHRNB4CHRNA3 | |
| SCHEMBL30467247 | 0.72 | CHRNB4 (0.39) | CHRNB4CHRNA3 | |
| SCHEMBL754993 | 0.72 | CHRNB4 (0.39) | CHRNB4CHRNA3 | |
| SCHEMBL30341132 | 0.71 | POLB (0.40) | LMNAPMP22 | |
| SCHEMBL29300216 | 0.71 | CHRNB4 (0.38) | CHRNB4CHRNA3 | |
| SCHEMBL5032547 | 0.70 | CHRNB4 (0.40) | CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117430540-A | Pyrrolidine compound and preparation method thereof | 上海艾力斯医药科技股份有限公司 | 2024-01-23 | — | — | CN | disclosed |