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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A known ✓ | Q03164 | 2/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 4/20 | 0.49 |
| ▸ | SLC6A4 known ✓ | P31645 | 4/20 | 0.49 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 SCHEMBL5194353 | 1.00 | KDM4E (0.51) | KDM4EKMT2AGLASLC6A2SLC6A4 | |
| SCHEMBL7806038 | 0.89 | SLC6A2 (0.56) | KDM4EKMT2AGLASLC6A2SLC6A4 | |
| Fumaric Acid SCHEMBL5194238 | 0.86 | SLC6A2 (0.52) | KDM4EKMT2AGLASLC6A2SLC6A4 | |
| Fumaric Acid SCHEMBL5194245 | 0.86 | SLC6A2 (0.52) | KDM4EKMT2AGLASLC6A2SLC6A4 | |
| SCHEMBL1022680 | 0.78 | SLC6A4 (0.56) | KDM4EKMT2AGLASLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL1022164 | 0.77 | SLC6A4 (0.55) | KDM4EKMT2AGLASLC6A2SLC6A4 | |
| SCHEMBL7215873 | 0.76 | SLC6A2 (0.51) | KDM4EKMT2AGLASLC6A2SLC6A4 | |
| Malonic Acid SCHEMBL5197805 | 0.74 | SLC6A4 (0.65) | KDM4EKMT2AGLASLC6A2SLC6A4 | |
| SCHEMBL7210041 | 0.73 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3ALDH1A1MAPT | |
| Malonic Acid SCHEMBL5194387 | 0.73 | SLC6A3 (0.51) | SLC6A2SLC6A4SLC6A3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0859777-B1 | 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE | NEUROSEARCH AS (DK) | 2007-05-23 | — | — | EP | disclosed |
| EP-1068204-A1 | 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND USE OF 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM | NEUROSEARCH A/S (DK) | 2001-01-17 | — | — | EP | disclosed |
| US-6100275-A | SEROTONIN RE-UPTAKE INHIBITORS; ANTIDEPRESSANTS | NEUROSEARCH A/S (DK) | 2000-08-08 | — | — | US | disclosed |
| WO-1999038866-A1 | 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED FORM AND USE OF 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM | NEUROSEARCH A/S (DK) | 1999-08-05 | — | — | WO | disclosed |
| CN-1199400-A | 8-azabicyclo [3.2.1] oct-2-ene derivatives, their preparation and use | NEUROSEARCH AS (DK) | 1998-11-18 | — | — | CN | disclosed |
| EP-0859777-A1 | 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 1998-08-26 | — | — | EP | disclosed |
| WO-1997013770-A1 | 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE | NEUROSEARCH A/S (DK) | 1997-04-17 | — | — | WO | disclosed |