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 | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 3/20 | 0.65 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.65 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.42 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.42 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.42 |
| ▸ | GRIK1 | P39086 | 3/20 | 0.39 |
| ▸ | GRIK2 | Q13002 | 3/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL3952127 | 1.00 | CHRNB2 (0.65) | CHRNB2CHRNA4ROCK2MAP4K4PRKACA | |
| SCHEMBL617913 | 0.90 | CHRNB2 (0.78) | CHRNB2CHRNA4ROCK2MAP4K4PRKACA | |
| SCHEMBL620296 | 0.90 | CHRNB2 (0.78) | CHRNB2CHRNA4ROCK2MAP4K4PRKACA | |
| SCHEMBL621496 | 0.90 | CHRNB2 (0.78) | CHRNB2CHRNA4ROCK2MAP4K4PRKACA | |
| SCHEMBL617912 | 0.90 | CHRNB2 (0.78) | CHRNB2CHRNA4ROCK2MAP4K4PRKACA | |
| SCHEMBL621495 | 0.90 | CHRNB2 (0.78) | CHRNB2CHRNA4ROCK2MAP4K4PRKACA | |
| SCHEMBL620297 | 0.90 | CHRNB2 (0.78) | CHRNB2CHRNA4ROCK2MAP4K4PRKACA | |
| Hydrochloric Acid SCHEMBL3958637 | 0.89 | CHRNB2 (0.76) | CHRNB2CHRNA4ROCK2MAP4K4PRKACA | |
| Hydrochloric Acid SCHEMBL3959048 | 0.89 | CHRNB2 (0.76) | CHRNB2CHRNA4ROCK2MAP4K4PRKACA | |
| Phosphoric Acid SCHEMBL3957257 | 0.88 | CHRNB2 (0.67) | CHRNB2CHRNA4ROCK2MAP4K4PRKACA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009018367-A2 | NOVEL SALT FORMS OF (2S)-(4E)-N-METHYL-5-[3-(5-METHOXYPYRIDIN)YL]-4-PENTEN-2-AMINE | TARGACEPT, INC. (US) | 2009-02-05 | — | — | WO | disclosed |