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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 known ✓ | P31645 | 2/20 | 0.52 |
| ▸ | HTR2A known ✓ | P28223 | 3/20 | 0.50 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.50 |
| ▸ | HTR2C known ✓ | P28335 | 1/20 | 0.50 |
| ▸ | ADRB1 known ✓ | P08588 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 5/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | HTR6 | P50406 | 7/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | HTR5A | P47898 | 2/20 | 0.49 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.45 |
| ▸ | HTR3B | O95264 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL2384862 | 0.88 | ADRB1 (0.61) | HTR1ASLC6A2SLC6A4SLC6A3HTR6 | |
| SCHEMBL12172763 | 0.82 | GAA (0.67) | KDM4EHTR7HTR1DHTR1BALDH1A1 | |
| SCHEMBL11011003 | 0.79 | HTR1A (0.57) | HTR1ASLC6A2SLC6A4SLC6A3HTR6 | |
| Phenylpiperazine SCHEMBL8141187 | 0.77 | SIGMAR1 (0.71) | HTR1ASLC6A4HTR6HTR2AHSD17B10 | |
| Phenylpiperazine SCHEMBL3866046 | 0.77 | SIGMAR1 (0.71) | HTR1ASLC6A4HTR6HTR2AHSD17B10 | |
| Phenylpiperazine SCHEMBL3866050 | 0.77 | SIGMAR1 (0.71) | HTR1ASLC6A4HTR6HTR2AHSD17B10 | |
| Phenylpiperazine SCHEMBL8141189 | 0.77 | SIGMAR1 (0.71) | HTR1ASLC6A4HTR6HTR2AHSD17B10 | |
| SCHEMBL11766268 | 0.77 | HTR1A (0.55) | HTR1ASLC6A2SLC6A4SLC6A3HTR6 | |
| SCHEMBL31561598 | 0.76 | HTR1A (0.73) | HTR1ASLC6A2SLC6A4SLC6A3HTR6 | |
| SCHEMBL335802 | 0.76 | HTR1A (0.73) | HTR1ASLC6A2SLC6A4SLC6A3HTR6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0612745-B1 | Process for the preparation of 1,2,3,4,10,14b-hexahydro-2-methyldibenzo[c,f ]pyrazino[ 1,2-a] azepin and their salts | HEUMANN PHARMA GMBH & CO (DE) | 1998-12-09 | — | — | EP | disclosed |
| EP-0612745-A1 | Process for the preparation 1,2,3,4,10,14b-hexahydro-2-methyldibenzo c,f pyrazino 1,2-a azepin and their salts | HEUMANN PHARMA GmbH (DE) | 1994-08-31 | — | — | EP | disclosed |