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 | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.54 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.54 |
| ▸ | SLC6A2 known ✓ | P23975 | 3/20 | 0.51 |
| ▸ | SLC6A4 known ✓ | P31645 | 3/20 | 0.51 |
| ▸ | HTR6 | P50406 | 3/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.54 |
| ▸ | HTR3B | O95264 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | DRD3 | P35462 | 1/20 | 0.54 |
| ▸ | HTR3A | P46098 | 1/20 | 0.54 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.54 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.54 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 3/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | ADRA1B | P35368 | 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 SCHEMBL7650493 | 1.00 | HTR6 (0.54) | HTR6HTR3EHTR3BADRB1DRD2 | |
| Fumaric Acid SCHEMBL3873157 | 1.00 | HTR6 (0.54) | HTR6HTR3EHTR3BADRB1DRD2 | |
| Fumaric Acid SCHEMBL3873156 | 1.00 | HTR6 (0.54) | HTR6HTR3EHTR3BADRB1DRD2 | |
| SCHEMBL3867980 | 0.88 | HTR6 (0.68) | HTR6HTR3EHTR3BADRB1DRD2 | |
| SCHEMBL3951002 | 0.88 | HTR6 (0.68) | HTR6HTR3EHTR3BADRB1DRD2 | |
| SCHEMBL30159754 | 0.88 | HTR6 (0.68) | HTR6HTR3EHTR3BADRB1DRD2 | |
| Hydrochloric Acid SCHEMBL4519236 | 0.86 | LMNA (0.69) | HTR6HTR3EHTR3BADRB1DRD2 | |
| SCHEMBL14984402 | 0.82 | HTR6 (0.60) | HTR6HTR3EHTR3BADRB1DRD2 | |
| Ethylamine SCHEMBL7690866 | 0.81 | HTR6 (0.59) | HTR6HTR3EHTR3BADRB1DRD2 | |
| Hydrochloric Acid SCHEMBL246152 | 0.81 | LMNA (0.61) | HTR6HTR3EHTR3BADRB1DRD2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0563345-B1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB INC (US) | 2002-07-03 | — | — | EP | disclosed |
| EP-0660822-B1 | CYCLIC BENZYLAMINO, BENZYLAMIDO AND BENZYLIMIDO DERIVATIVES AS ANTIPSYCHOTIC AGENTS | MCNEILAB INC (US) | 1997-05-28 | — | — | EP | disclosed |
| US-5569659-A | ANTIPSYCHOTIC AGENT | MCNEILAB, INC. (US) | 1996-10-29 | — | — | US | disclosed |
| US-5449677-A | Cyclic benzylamino, benzylamido and benzylimido antipsychotic agents | MCNEILAB, INC. (US) | 1995-09-12 | — | — | US | disclosed |
| EP-0660822-A1 | CYCLIC BENZYLAMINO, BENZYLAMIDO AND BENZYLIMIDO DERIVATIVES AS ANTIPSYCHOTIC AGENTS. | MCNEILAB INC (US) | 1995-07-05 | — | — | EP | disclosed |
| US-5332732-A | Thiophene and pyridine antipsychotic agents | MCNEILAB, INC. (US) | 1994-07-26 | — | — | US | disclosed |
| US-5314885-A | Psychological disorders, anticonvulsants | MCNEILAB, INC. (US) | 1994-05-24 | — | — | US | disclosed |
| WO-1994006768-A1 | CYCLIC BENZYLAMINO, BENZYLAMIDO AND BENZYLIMIDO DERIVATIVES AS ANTIPSYCHOTIC AGENTS | MCNEILAB, INC. (US) | 1994-03-31 | — | — | WO | disclosed |
| EP-0563345-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-10-06 | — | — | EP | disclosed |
| EP-0562049-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-09-29 | — | — | EP | disclosed |
| WO-1993004682-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-03-18 | — | — | WO | disclosed |
| WO-1993004684-A1 | NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES | MCNEILAB, INC. (US) | 1993-03-18 | — | — | WO | disclosed |