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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C known ✓ | P28335 | 19/20 | 0.78 |
| ▸ | HTR2A known ✓ | P28223 | 17/20 | 0.78 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.42 |
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 SCHEMBL8959680 | 1.00 | HTR2C (0.78) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959482 | 1.00 | HTR2C (0.78) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959477 | 1.00 | HTR2C (0.78) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959800 | 1.00 | HTR2C (0.78) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959795 | 1.00 | HTR2C (0.78) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959564 | 0.90 | HTR2C (0.78) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| Fumaric Acid SCHEMBL8959556 | 0.90 | HTR2C (0.78) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8959698 | 0.88 | HTR2C (1.00) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7994160 | 0.88 | HTR2C (1.00) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL8959794 | 0.88 | HTR2C (1.00) | HTR2CHTR2ACYP1A2CYP3A4CYP2C9 |
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 |