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 | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 10/20 | 0.57 |
| ▸ | HTR2A known ✓ | P28223 | 10/20 | 0.57 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A known ✓ | Q03164 | 1/20 | 0.36 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NQO2 | P16083 | 2/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
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 SCHEMBL8873552 | 1.00 | HTR2C (0.57) | HTR2CHTR2AGAAKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL8875273 | 0.91 | HTR2A (0.47) | HTR2CHTR2AGAAKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL8875270 | 0.91 | HTR2A (0.47) | HTR2CHTR2AGAAKDM4EALDH1A1 | |
| SCHEMBL9239106 | 0.90 | HTR2C (0.69) | HTR2CHTR2AGAAKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL8874759 | 0.85 | HTR2C (0.81) | HTR2CHTR2AGAAKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL8874755 | 0.85 | HTR2C (0.81) | HTR2CHTR2AGAAKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL8875709 | 0.85 | HTR2C (0.81) | HTR2CHTR2AGAAKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL8873435 | 0.85 | HTR2C (0.81) | HTR2CHTR2AGAAKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL8875714 | 0.85 | HTR2C (0.81) | HTR2CHTR2AGAAKDM4EALDH1A1 | |
| Fumaric Acid SCHEMBL8873443 | 0.85 | HTR2C (0.81) | HTR2CHTR2AGAAKDM4EALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5646173-A | ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1997-07-08 | — | — | US | disclosed |