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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 13/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7687793 | 0.93 | LSS (0.61) | LSSALDH1A1LMNASMN1; SMN2PARP15 | |
| Hydrochloric Acid SCHEMBL7687465 | 0.92 | LSS (0.60) | LSSALDH1A1LMNASMN1; SMN2PARP15 | |
| Fumaric Acid SCHEMBL7685404 | 0.88 | LSS (0.61) | LSSPARP15PARP10FFAR4 | |
| Fumaric Acid SCHEMBL7686200 | 0.85 | LSS (0.42) | LSSFFAR4 | |
| Fumaric Acid SCHEMBL7686116 | 0.82 | LSS (0.68) | LSS | |
| Fumaric Acid SCHEMBL7686118 | 0.82 | LSS (0.68) | LSS | |
| SCHEMBL7688273 | 0.81 | LSS (0.67) | LSSPARP15PARP10FFAR4 | |
| SCHEMBL7767744 | 0.80 | LSS (0.59) | LSSALDH1A1LMNAFFAR4 | |
| Fumaric Acid SCHEMBL7687490 | 0.79 | LSS (0.88) | LSS | |
| SCHEMBL7683275 | 0.78 | LSS (0.45) | LSSFFAR4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6441177-B1 | Tertiary amines | HOFFMANN-LA ROCHE INC. | 2002-08-27 | — | — | US | disclosed |
| US-6034275-A | FUGICIDES; ATICHOLESTEROL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 2000-03-07 | — | — | US | disclosed |