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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.53 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 SCHEMBL27493341 | 0.92 | THRB (0.50) | THRBCYP2C9TSHRTP53EGLN1 | |
| Adamantane SCHEMBL2307508 | 0.88 | THRB (0.61) | THRBCYP2C9TSHRTP53EGLN1 | |
| Adamantane SCHEMBL2307499 | 0.88 | THRB (0.61) | THRBCYP2C9TSHRTP53EGLN1 | |
| Bicarbonate SCHEMBL14480226 | 0.81 | CA1 (0.39) | THRBCYP2C9TSHRTP53ATM | |
| Acrylic Acid SCHEMBL7036982 | 0.80 | LMNA (0.56) | THRBCYP2C9TSHRATMPOLB | |
| Acetic Acid SCHEMBL5399148 | 0.75 | FFAR3 (0.47) | THRBCYP2C9TSHRPOLBLMNA | |
| SCHEMBL3151607 | 0.74 | CHRNB2 (0.35) | CYP2C9TSHRPOLBGAA | |
| SCHEMBL28305457 | 0.73 | — | — | |
| Fumaric Acid SCHEMBL6875 | 0.73 | TSHR (1.00) | THRBCYP2C9TSHRTP53EGLN1 | |
| Maleic Acid SCHEMBL20487516 | 0.73 | TSHR (1.00) | THRBCYP2C9TSHRTP53EGLN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1653068-A | Novel diazabicyclic biaryl derivatives | NEUROSEARCH AS (DK) | 2005-08-10 | — | — | CN | disclosed |