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 | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 1/20 | 0.46 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 4/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9310567 | 0.92 | CHRM3 (0.47) | CHRM3GAAHDAC8ALDH1A1SMN1; SMN2 | |
| Fumaric Acid SCHEMBL9311944 | 0.82 | ALDH1A1 (0.64) | ALDH1A1SMN1; SMN2L3MBTL1HTTKDM4E | |
| SCHEMBL9059622 | 0.81 | ALDH1A1 (0.45) | GAAHDAC8ALDH1A1SMN1; SMN2L3MBTL1 | |
| Hydrochloric Acid SCHEMBL9311505 | 0.80 | ALDH1A1 (0.44) | GAAHDAC8ALDH1A1SMN1; SMN2L3MBTL1 | |
| Fumaric Acid SCHEMBL9311275 | 0.78 | EPHX1 (0.48) | CHRM3ALDH1A1SMN1; SMN2L3MBTL1LMNA | |
| SCHEMBL5106389 | 0.78 | KDM4E (0.53) | CHRM3GAAHDAC8ALDH1A1SMN1; SMN2 | |
| SCHEMBL17206259 | 0.77 | KDM4E (0.52) | CHRM3GAAHDAC8ALDH1A1SMN1; SMN2 | |
| SCHEMBL9059661 | 0.76 | ALDH1A1 (0.49) | CHRM3GAAHDAC8ALDH1A1SMN1; SMN2 | |
| Fumaric Acid SCHEMBL9311338 | 0.74 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2LMNAKDM4EKMT2A | |
| SCHEMBL8471964 | 0.74 | ALDH1A1 (0.52) | CHRM3GAAHDAC8ALDH1A1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0536151-B1 | ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM | BOOTS CO PLC (GB) | 1994-09-14 | — | — | EP | disclosed |
| US-5302720-A | Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents | THE BOOTS COMPANY (GB) | 1994-04-12 | — | — | US | disclosed |
| WO-1992000273-A1 | ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM | THE BOOTS COMPANY PLC (GB) | 1992-01-09 | — | — | WO | disclosed |