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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.45 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 6/20 | 0.45 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 4/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 4/20 | 0.34 |
| ▸ | THRA | P10827 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 SCHEMBL4953272 | 1.00 | TSHR (0.45) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Maleic Acid SCHEMBL4951202 | 1.00 | TSHR (0.45) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Maleic Acid SCHEMBL4953240 | 1.00 | TSHR (0.45) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Maleic Acid SCHEMBL4929683 | 0.98 | HCAR2 (0.43) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL4929336 | 0.98 | HCAR2 (0.43) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL4924908 | 0.89 | BBOX1 (0.41) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL4953243 | 0.89 | BBOX1 (0.41) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Fumaric Acid SCHEMBL4925561 | 0.89 | BBOX1 (0.41) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Tributylmethylammonium SCHEMBL4951132 | 0.86 | HCAR2 (0.48) | TSHRTP53EGLN1EGLN3HCAR2 | |
| Tributylmethylammonium SCHEMBL4952822 | 0.86 | HCAR2 (0.48) | TSHRTP53EGLN1EGLN3HCAR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2003157-A2 | Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications | Air Products and Chemicals, Inc. (US) | 2008-12-17 | — | — | EP | claimed |
| EP-2003157-A2 | Tetraalkylammonium carboxylate salts as trimerization catalysts for spray foam applications | Air Products and Chemicals, Inc. (US) | 2008-12-17 | — | — | EP | disclosed |