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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 7/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | DRD1 | P21728 | 7/20 | 0.43 |
| ▸ | DRD5 | P21918 | 7/20 | 0.43 |
| ▸ | DRD4 | P21917 | 5/20 | 0.43 |
| ▸ | DRD3 | P35462 | 5/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 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 SCHEMBL10702753 | 1.00 | SMN1; SMN2 (0.51) | SMN1; SMN2CYP3A4HTTDRD2DRD1 | |
| SCHEMBL10701951 | 0.89 | DRD1 (0.49) | SMN1; SMN2DRD2DRD1DRD5DRD4 | |
| Fumaric Acid SCHEMBL12467794 | 0.81 | DRD2 (0.59) | CYP3A4HTTDRD2DRD1DRD5 | |
| Maleic Acid SCHEMBL167958 | 0.81 | DRD2 (0.59) | CYP3A4HTTDRD2DRD1DRD5 | |
| Fumaric Acid SCHEMBL10700517 | 0.79 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP3A4HTTDRD2DRD1 | |
| Maleic Acid SCHEMBL10700510 | 0.79 | SMN1; SMN2 (0.52) | SMN1; SMN2CYP3A4HTTDRD2DRD1 | |
| SCHEMBL10702749 | 0.74 | DRD1 (0.41) | SMN1; SMN2CYP3A4DRD2DRD1DRD5 | |
| Diphenylsulfane SCHEMBL29264708 | 0.73 | ALDH1A1 (0.54) | SMN1; SMN2HTTALOX5MAPTLMNA | |
| SCHEMBL14376846 | 0.72 | TSHR (0.46) | SMN1; SMN2HTTMEN1KMT2ATP53 | |
| SCHEMBL30299282 | 0.72 | TSHR (0.46) | SMN1; SMN2HTTMEN1KMT2ATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0285287-A2 | 3-Benzazepine compounds for use in treating gastrointestinal motility disorders | SMITHKLINE BEECHAM CORPORATION (US) | 1988-10-05 | — | — | EP | disclosed |