Known targets — ChEMBL curated mechanism
ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ATP4AATP4BAXLBTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CHRM2CHRM3CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4FLT3HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3KCNH2KMT2AMAP2K1MAP2K2MEN1MLNRMPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PLK4PPARGRENS1PR1SLC6A2SLC6A3SLC6A4SMOTYK2atpAatpBatpCatpDatpEatpFatpFHatpGpol
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 | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.33 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.44 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.44 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.44 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.44 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.44 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.44 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.38 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.38 |
| ▸ | GABRP | O00591 | 1/20 | 0.37 |
| ▸ | GABRD | O14764 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
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 SCHEMBL5669341 | 1.00 | SLC6A1 (0.44) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| Fumaric Acid SCHEMBL4437861 | 0.88 | SLC6A1 (0.47) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| Fumaric Acid SCHEMBL5745514 | 0.87 | TSHR (0.44) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| Fumaric Acid SCHEMBL5745504 | 0.87 | TSHR (0.44) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| Acetic Acid SCHEMBL28792105 | 0.83 | SLC6A1 (0.47) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| Formic Acid SCHEMBL27798523 | 0.80 | — | — | |
| Formic Acid SCHEMBL28622301 | 0.80 | — | — | |
| Maleic Acid SCHEMBL28155376 | 0.80 | TSHR (0.47) | GABRR1TSHRTP53EGLN1EGLN3 | |
| Succinic Acid SCHEMBL28131963 | 0.79 | SLC6A1 (0.53) | SLC6A1GABRA5GABRB2SLC6A11SLC6A13 | |
| SCHEMBL336177 | 0.79 | — | — |
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-1729754-A2 | SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION | ELI LILLY AND COMPANY (US) | 2006-12-13 | — | — | EP | disclosed |
| WO-2005060949-A2 | SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION | ELI LILLY AND COMPANY (US) | 2005-07-07 | — | — | WO | disclosed |