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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 6/20 | 0.55 |
| ▸ | HTR2C known ✓ | P28335 | 6/20 | 0.55 |
| ▸ | HTR2B known ✓ | P41595 | 6/20 | 0.55 |
| ▸ | DRD2 known ✓ | P14416 | 3/20 | 0.55 |
| ▸ | KMT2A known ✓ | Q03164 | 4/20 | 0.54 |
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.54 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.74 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | CCR2 | P41597 | 1/20 | 0.50 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
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 SCHEMBL5945716 | 1.00 | SIGMAR1 (0.74) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| Fumaric Acid SCHEMBL7488785 | 1.00 | SIGMAR1 (0.74) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| Fumaric Acid SCHEMBL1395281 | 1.00 | SIGMAR1 (0.74) | SIGMAR1HTR2AHTR2CHTR2BDRD2 | |
| Bicarbonate SCHEMBL21981463 | 0.90 | SIGMAR1 (0.85) | SIGMAR1KMT2AMEN1ALDH1A1CYP2C9 | |
| Acetic Acid SCHEMBL7452259 | 0.87 | SIGMAR1 (0.79) | SIGMAR1KMT2AMEN1ALDH1A1CYP2C9 | |
| Urea SCHEMBL6942597 | 0.87 | SIGMAR1 (0.79) | SIGMAR1KMT2AMEN1ALDH1A1CYP2C9 | |
| SCHEMBL6138636 | 0.86 | SIGMAR1 (1.00) | SIGMAR1KMT2AMEN1ALDH1A1CYP2C9 | |
| SCHEMBL83548 | 0.86 | SIGMAR1 (1.00) | SIGMAR1KMT2AMEN1ALDH1A1CYP2C9 | |
| SCHEMBL276363 | 0.86 | SIGMAR1 (1.00) | SIGMAR1KMT2AMEN1ALDH1A1CYP2C9 | |
| SCHEMBL152631 | 0.86 | SIGMAR1 (1.00) | SIGMAR1KMT2AMEN1ALDH1A1CYP2C9 |
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-1204654-A1 | BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS | ELI LILLY AND COMPANY (US) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001009111-A1 | BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS | ELI LILLY AND COMPANY (US) | 2001-02-08 | — | — | WO | disclosed |