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 | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 12/20 | 0.61 |
| ▸ | DRD2 known ✓ | P14416 | 6/20 | 0.61 |
| ▸ | HTR2C known ✓ | P28335 | 6/20 | 0.61 |
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.56 |
| ▸ | KCNH2 known ✓ | Q12809 | 2/20 | 0.55 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.54 |
| ▸ | HTR1A | P08908 | 12/20 | 0.61 |
| ▸ | DRD3 | P35462 | 11/20 | 0.61 |
| ▸ | DRD4 | P21917 | 7/20 | 0.61 |
| ▸ | HTR7 | P34969 | 6/20 | 0.61 |
| ▸ | DRD1 | P21728 | 3/20 | 0.56 |
| ▸ | DRD5 | P21918 | 3/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.56 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.49 |
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 SCHEMBL7860254 | 1.00 | HTR1A (0.61) | HTR1AHTR2ADRD3DRD4HTR7 | |
| Oxalic Acid SCHEMBL9602525 | 0.78 | DRD3 (0.58) | HTR1AHTR2ADRD3DRD4HTR7 | |
| SCHEMBL10423484 | 0.77 | HTR2A (0.54) | HTR1AHTR2ADRD3DRD4HTR7 | |
| SCHEMBL10423481 | 0.77 | HTR2A (0.54) | HTR1AHTR2ADRD3DRD4HTR7 | |
| Fumaric Acid SCHEMBL7911475 | 0.75 | HTR1A (0.55) | HTR1AHTR2ADRD3DRD4HTR7 | |
| Fumaric Acid SCHEMBL7911473 | 0.75 | HTR1A (0.55) | HTR1AHTR2ADRD3DRD4HTR7 | |
| SCHEMBL27658724 | 0.73 | KCNH2 (0.56) | HTR1AHTR2ADRD3DRD4HTR7 | |
| SCHEMBL6525544 | 0.73 | KCNH2 (0.63) | HTR1AHTR2ADRD3DRD4HTR7 | |
| Fumaric Acid SCHEMBL9601489 | 0.73 | DRD3 (0.54) | HTR1AHTR2ADRD3DRD4HTR7 | |
| Fumaric Acid SCHEMBL9601481 | 0.73 | DRD3 (0.54) | HTR1AHTR2ADRD3DRD4HTR7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900082-B1 | USE OF PYRIDYL- AND PYRIMIDYL-PIPERAZINES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF SUBSTANCE ABUSE DISORDERS | BIOVITRUM AB (SE) | 2001-11-07 | — | — | EP | disclosed |
| US-6221858-B1 | Pyridyl-and pyrimidyl-piperazines in the treatment of substance abuse disorders | PHARMACIA & UPJOHN AB (SE) | 2001-04-24 | — | — | US | disclosed |
| EP-0900082-A1 | PYRIDYL- AND PYRIMIDYL-PIPERAZINES IN THE TREATMENT OF SUBSTANCE ABUSE DISORDERS | Pharmacia & Upjohn Aktiebolag (SE) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997041858-A1 | PYRIDYL- AND PYRIMIDYL-PIPERAZINES IN THE TREATMENT OF SUBSTANCE ABUSE DISORDERS | PHARMACIA & UPJOHN AB (SE) | 1997-11-13 | — | — | WO | disclosed |