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 | 1/20 | 0.43 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.43 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.42 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 SCHEMBL8713808 | 1.00 | CYP2C19 (0.47) | CYP2C19CYP2C9CYP1A2GAASMN1; SMN2 | |
| SCHEMBL8713259 | 0.96 | CYP2C19 (0.51) | CYP2C19CYP2C9CYP1A2GAASMN1; SMN2 | |
| Fumaric Acid SCHEMBL8712465 | 0.94 | CYP2C19 (0.47) | CYP2C19CYP2C9CYP1A2GAASMN1; SMN2 | |
| Fumaric Acid SCHEMBL8712464 | 0.94 | CYP2C19 (0.47) | CYP2C19CYP2C9CYP1A2GAASMN1; SMN2 | |
| Fumaric Acid SCHEMBL9230591 | 0.90 | ALDH1A1 (0.49) | CYP2C19SMN1; SMN2LMNAALDH1A1HTT | |
| Fumaric Acid SCHEMBL9230588 | 0.90 | ALDH1A1 (0.49) | CYP2C19SMN1; SMN2LMNAALDH1A1HTT | |
| SCHEMBL8710763 | 0.90 | CYP2C19 (0.51) | CYP2C19CYP2C9CYP1A2GAASMN1; SMN2 | |
| Fumaric Acid SCHEMBL8711073 | 0.89 | CYP2C9 (0.53) | CYP2C19CYP2C9CYP1A2GAASMN1; SMN2 | |
| Fumaric Acid SCHEMBL8711070 | 0.89 | CYP2C9 (0.53) | CYP2C19CYP2C9CYP1A2GAASMN1; SMN2 | |
| Fumaric Acid SCHEMBL8710683 | 0.88 | HSD11B1 (0.47) | CYP2C19CYP2C9CYP1A2GAASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5728835-A | HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS | TOA EIYO, LTD. (JP) | 1998-03-17 | — | — | US | disclosed |
| EP-0661266-A1 | Substituted cyclic amine compounds as 5HT2 antagonists | TOA EIYO LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |