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 | 0.42 |
| ▸ | IRAK4 | Q9NWZ3 | 13/20 | 0.54 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | DRD4 | P21917 | 1/20 | 0.42 |
| ▸ | DRD3 | P35462 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
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 SCHEMBL28778149 | 1.00 | IRAK4 (0.54) | IRAK4CHRNB4CHRNA3GMNNALDH1A1 | |
| Fumaric Acid SCHEMBL28778150 | 1.00 | IRAK4 (0.54) | IRAK4CHRNB4CHRNA3GMNNALDH1A1 | |
| SCHEMBL3324245 | 0.91 | IRAK4 (0.54) | IRAK4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| SCHEMBL3329157 | 0.91 | IRAK4 (0.54) | IRAK4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Fumaric Acid SCHEMBL27751572 | 0.89 | IRAK4 (0.47) | IRAK4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Fumaric Acid SCHEMBL27751570 | 0.89 | IRAK4 (0.47) | IRAK4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Fumaric Acid SCHEMBL27751571 | 0.89 | IRAK4 (0.47) | IRAK4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Fumaric Acid SCHEMBL27772376 | 0.84 | IRAK4 (0.43) | IRAK4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Fumaric Acid SCHEMBL27772370 | 0.84 | IKBKB (0.43) | IRAK4CHRNB4CHRNA3CHRNB2CHRNA4 | |
| Fumaric Acid SCHEMBL27772374 | 0.84 | IKBKB (0.43) | IRAK4CHRNB4CHRNA3CHRNB2CHRNA4 |
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-101506164-A | Piperidine derivatives | PFIZER PROD INC (US) | 2009-08-12 | — | — | CN | disclosed |