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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 7/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 6/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
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 SCHEMBL7685343 | 1.00 | LSS (0.41) | LSSMTNR1APTGESHDAC3HDAC4 | |
| SCHEMBL7687915 | 0.97 | LSS (0.43) | LSSMTNR1APTGESHDAC3HDAC4 | |
| SCHEMBL7687916 | 0.97 | LSS (0.43) | LSSMTNR1APTGESHDAC3HDAC4 | |
| Fumaric Acid SCHEMBL7683900 | 0.93 | LSS (0.45) | LSSPTGES | |
| Fumaric Acid SCHEMBL7683894 | 0.93 | LSS (0.45) | LSSPTGES | |
| SCHEMBL7677397 | 0.89 | LSS (0.48) | LSSPTGES | |
| SCHEMBL7677390 | 0.89 | LSS (0.48) | LSSPTGES | |
| Fumaric Acid SCHEMBL7681876 | 0.85 | LSS (0.38) | LSSMTNR1APTGESHDAC3HDAC4 | |
| Fumaric Acid SCHEMBL7681885 | 0.85 | LSS (0.38) | LSSMTNR1APTGESHDAC3HDAC4 | |
| Fumaric Acid SCHEMBL7688683 | 0.85 | LSS (0.39) | LSSMTNR1APTGESHDAC3HDAC4 |
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 |