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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.53 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.53 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.53 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.53 |
| ▸ | HRH3 known ✓ | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL7315527 | 1.00 | SLC6A9 (0.64) | SLC6A9SLC6A2CYP3A4TSHRCYP2C19 | |
| SCHEMBL6729778 | 0.89 | SLC6A9 (0.64) | SLC6A9SLC6A2CYP3A4TSHRCYP2C19 | |
| Maleic Acid SCHEMBL7316880 | 0.86 | SLC6A9 (0.65) | SLC6A9CYP3A4TSHRCYP2C19MEN1 | |
| Fumaric Acid SCHEMBL7316884 | 0.86 | SLC6A9 (0.65) | SLC6A9CYP3A4TSHRCYP2C19MEN1 | |
| Fumaric Acid SCHEMBL7319213 | 0.85 | SLC6A9 (0.64) | SLC6A9SLC6A4HRH3 | |
| Maleic Acid SCHEMBL7319208 | 0.85 | SLC6A9 (0.64) | SLC6A9SLC6A4HRH3 | |
| Maleic Acid SCHEMBL7311827 | 0.84 | SLC6A2 (0.56) | SLC6A9SLC6A2CYP3A4TSHRCYP2C19 | |
| Fumaric Acid SCHEMBL11354089 | 0.82 | SLC6A9 (0.47) | SLC6A9CYP3A4TSHRCYP2C19SLC6A4 | |
| Fumaric Acid SCHEMBL11354087 | 0.82 | SLC6A9 (0.47) | SLC6A9CYP3A4TSHRCYP2C19SLC6A4 | |
| Maleic Acid SCHEMBL7311084 | 0.81 | SLC6A9 (0.60) | SLC6A9CYP2C19SLC6A4CYP2D6ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4626549-A | Treatment of obesity with aryloxyphenylpropylamines | ELI LILLY AND COMPANY (US) | 1986-12-02 | — | — | US | disclosed |
| US-4314081-A | ANTIDEPRESSANTS | ELI LILLY AND COMPANY (US) | 1982-02-02 | — | — | US | disclosed |
| US-4194009-A | ANTIDEPRESSANT | ELI LILLY AND COMPANY (US) | 1980-03-18 | — | — | US | disclosed |
| US-4018895-A | Aryloxyphenylpropylamines in treating depression | ELI LILLY AND COMPANY (US) | 1977-04-19 | — | — | US | disclosed |