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 | |
|---|---|---|---|---|
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.43 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CD74 | P04233 | 1/20 | 0.36 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL314100 | 0.90 | LMNA (0.44) | HRH4MAPTMAPKAPK2ALDH1A1KDM4E | |
| Trifluoroacetic Acid SCHEMBL313993 | 0.77 | BACE1 (0.39) | MAPTMAPKAPK2ALDH1A1KDM4EMEN1 | |
| SCHEMBL314191 | 0.76 | HRH4 (0.36) | HRH4MAPTMAPKAPK2ALDH1A1KDM4E | |
| SCHEMBL313493 | 0.75 | BCHE (0.43) | MAPTMAPKAPK2ALDH1A1KDM4ERAB9A | |
| SCHEMBL10901794 | 0.69 | NPC1 (0.46) | DRD2MAPTRAB9ALMNANPC1 | |
| SCHEMBL3928656 | 0.68 | MEN1 (0.39) | MAPTALDH1A1KDM4EMEN1KMT2A | |
| Maleic Acid SCHEMBL7887924 | 0.67 | KDM4E (0.39) | HRH4MAPTALDH1A1KDM4EMEN1 | |
| Hydrochloric Acid SCHEMBL735112 | 0.67 | MEN1 (0.39) | MAPTALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL313961 | 0.66 | HRH4 (0.42) | HRH4SIGMAR1MEN1KMT2A | |
| SCHEMBL10900184 | 0.64 | RAB9A (0.46) | HRH4MAPTALDH1A1KDM4ERAB9A |
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-8093388-B2 | 3-aza spiro[5,5]undec-8-ene derivatives and their use as monoamine neurotransmitter re-uptake inhibitors | NEUROSEARCH A/S (DK) | 2012-01-10 | — | — | US | disclosed |