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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.42 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.42 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.48 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.46 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SORD | Q00796 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL27600556 | 0.88 | KDM4E (0.52) | KDM4ECYP3A4HSD17B10SLC6A7PLD1 | |
| Formic Acid SCHEMBL6282993 | 0.86 | PLD1 (0.47) | KDM4ECYP3A4HSD17B10SLC6A7PLD1 | |
| SCHEMBL29403876 | 0.86 | PLD1 (0.56) | KDM4ECYP3A4HSD17B10PIM2PLD1 | |
| SCHEMBL8040 | 0.86 | PLD1 (0.56) | KDM4ECYP3A4HSD17B10PIM2PLD1 | |
| SCHEMBL1477436 | 0.86 | PLD1 (0.56) | KDM4ECYP3A4HSD17B10PIM2PLD1 | |
| Hydrochloric Acid SCHEMBL25306600 | 0.84 | PLD1 (0.55) | KDM4ECYP3A4HSD17B10PIM2PLD1 | |
| Hydrochloric Acid SCHEMBL2956941 | 0.84 | PLD1 (0.55) | KDM4ECYP3A4HSD17B10PIM2PLD1 | |
| SCHEMBL25378983 | 0.80 | CHRNB2 (0.55) | KDM4ECYP3A4HSD17B10PLD1ALDH1A1 | |
| SCHEMBL30306065 | 0.80 | CHRNB2 (0.55) | KDM4ECYP3A4HSD17B10PLD1ALDH1A1 | |
| Piperidine SCHEMBL1270139 | 0.80 | PLD1 (0.50) | KDM4ECYP3A4HSD17B10PLD1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100398103-C | Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance | NEUROSEARCH AS (DK) | 2008-07-02 | — | — | CN | disclosed |
| CN-1635877-A | Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance | NEUROSEARCH AS (DK) | 2005-07-06 | — | — | CN | disclosed |