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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A known ✓ | Q03164 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
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 SCHEMBL7324456 | 0.93 | CYP2C9 (0.43) | CYP2C9CYP2C19CYP3A4NPSR1ALDH1A1 | |
| Fumaric Acid SCHEMBL7334775 | 0.84 | POLB (0.38) | ALDH1A1MEN1KMT2APOLBTDP1 | |
| Fumaric Acid SCHEMBL7334141 | 0.83 | HPGD (0.43) | MEN1KMT2AGAASMN1; SMN2RAB9A | |
| Fumaric Acid SCHEMBL7332340 | 0.83 | LMNA (0.42) | NPSR1ALDH1A1MEN1KMT2AL3MBTL1 | |
| Fumaric Acid SCHEMBL7330519 | 0.82 | SMN1; SMN2 (0.49) | ALDH1A1MEN1KMT2AGAASMN1; SMN2 | |
| Fumaric Acid SCHEMBL7325579 | 0.81 | GAA (0.55) | ALDH1A1MEN1KMT2APOLBGAA | |
| Fumaric Acid SCHEMBL7323992 | 0.81 | KDM4E (0.51) | CYP2C9CYP2C19CYP3A4NPSR1ALDH1A1 | |
| Fumaric Acid SCHEMBL7331885 | 0.80 | SMN1; SMN2 (0.48) | CYP2C19ALDH1A1MEN1KMT2APOLB | |
| Fumaric Acid SCHEMBL9617092 | 0.79 | GAA (0.38) | ALDH1A1MEN1KMT2APOLBGAA | |
| Fumaric Acid SCHEMBL7335420 | 0.78 | KMT2A (0.43) | ALDH1A1MEN1KMT2APOLBL3MBTL1 |
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-0376624-B1 | 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation | YAMANOUCHI PHARMA CO LTD (JP) | 1994-09-14 | — | — | EP | disclosed |
| US-4977175-A | GASTROINTESTINAL DISORDERS, ANTIEMETICS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1990-12-11 | — | — | US | disclosed |
| EP-0376624-A1 | 4,5,6,7-Tetrahydrobenzimidazole derivatives and their preparation | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1990-07-04 | — | — | EP | disclosed |