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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 13/20 | 0.77 |
| ▸ | HTR2A known ✓ | P28223 | 11/20 | 0.77 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | TRPM5 | Q9NZQ8 | 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 SCHEMBL8959716 | 1.00 | HTR2C (0.77) | HTR2CHTR2APRMT5P2RX7LMNA | |
| SCHEMBL9234276 | 0.88 | HTR2C (1.00) | HTR2CHTR2APRMT5P2RX7 | |
| SCHEMBL8959931 | 0.88 | HTR2C (1.00) | HTR2CHTR2APRMT5P2RX7 | |
| SCHEMBL8959941 | 0.88 | HTR2C (1.00) | HTR2CHTR2APRMT5P2RX7 | |
| Fumaric Acid SCHEMBL8959703 | 0.77 | HTR2C (0.56) | HTR2CHTR2ALMNAPMP22NPSR1 | |
| Fumaric Acid SCHEMBL27352021 | 0.77 | HTR2C (0.79) | HTR2CHTR2ALMNAPMP22NPSR1 | |
| Fumaric Acid SCHEMBL8959841 | 0.77 | HTR2C (0.79) | HTR2CHTR2ALMNAPMP22NPSR1 | |
| Fumaric Acid SCHEMBL8959746 | 0.77 | HTR2C (0.79) | HTR2CHTR2ALMNAPMP22NPSR1 | |
| Fumaric Acid SCHEMBL8959757 | 0.77 | HTR2C (0.79) | HTR2CHTR2ALMNAPMP22NPSR1 | |
| Fumaric Acid SCHEMBL8959684 | 0.77 | HTR2C (0.56) | HTR2CHTR2ALMNAPMP22NPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1061341-C | 1-amino-ethylindole-derivatives | HOFFMANN LA ROCHE (CH) | 2001-01-31 | — | — | CN | disclosed |
| US-5494928-A | FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-02-27 | — | — | US | disclosed |
| CN-1105988-A | 1-amino-ethylindole-derivatives | HOFFMANN LA ROCHE (CH) | 1995-08-02 | — | — | CN | disclosed |