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 | 0.41 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.41 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.54 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL1689067 | 0.91 | CHRNA7 (0.64) | CHRNA7CHRNB4CHRNA3SMN1; SMN2TP53 | |
| Fumaric Acid SCHEMBL5218174 | 0.88 | CHRNA7 (0.65) | CHRNA7CHRNB4CHRNA3TSHRNPC1 | |
| Fumaric Acid SCHEMBL2112312 | 0.88 | CHRNA7 (0.54) | CHRNA7CHRNB4CHRNA3SMN1; SMN2TP53 | |
| Fumaric Acid SCHEMBL2113241 | 0.86 | CHRNA7 (0.65) | CHRNA7CHRNB4CHRNA3KCNH2HTR3A | |
| Fumaric Acid SCHEMBL2113109 | 0.85 | CHRNA7 (0.53) | CHRNA7CHRNB4CHRNA3TP53NPC1 | |
| Fumaric Acid SCHEMBL5220969 | 0.84 | CHRNA7 (0.56) | CHRNA7CHRNB4CHRNA3SMN1; SMN2TSHR | |
| Fumaric Acid SCHEMBL2114381 | 0.82 | CHRNA7 (0.51) | CHRNA7CHRNB4CHRNA3SMN1; SMN2TP53 | |
| Fumaric Acid SCHEMBL2111723 | 0.81 | CHRNA7 (0.64) | CHRNA7CHRNB4CHRNA3SMN1; SMN2NPC1 | |
| Fumaric Acid SCHEMBL392434 | 0.81 | CHRNA7 (0.55) | CHRNA7CHRNB4CHRNA3SMN1; SMN2TP53 | |
| Fumaric Acid SCHEMBL391501 | 0.81 | CHRNA7 (0.55) | CHRNA7CHRNB4CHRNA3SMN1; SMN2TP53 |
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-8158619-B2 | 1,4-diaza-bicyclo[3.2.2]nonyl oxadiazolyl compounds and their medical use | NEUROSEARCH A/S (DK) | 2012-04-17 | — | — | US | disclosed |