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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 8/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 8/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 7/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 7/20 | 0.47 |
| ▸ | ADRA1D | P25100 | 7/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 7/20 | 0.47 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.42 |
| ▸ | ITGAV | P06756 | 5/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.42 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.42 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 4/20 | 0.39 |
| ▸ | HTR1B | P28222 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8403268 | 0.89 | ADRA2A (0.56) | ADRA2AADRA1AADRA2BADRA2CADRA1D | |
| SCHEMBL8403318 | 0.83 | ADRA2A (0.65) | ADRA2AADRA1AADRA2BADRA2CADRA1D | |
| SCHEMBL8900457 | 0.75 | ADRA2A (0.42) | ADRA2AADRA1AADRA2BADRA2CADRA1D | |
| Fumaric Acid SCHEMBL8900451 | 0.74 | — | — | |
| SCHEMBL6976298 | 0.71 | ADRA2A (0.82) | ADRA2AADRA1AADRA2BADRA2CADRA1D | |
| SCHEMBL27562044 | 0.68 | ADRA2A (0.46) | ADRA2AADRA1AADRA2BADRA2CADRA1D | |
| SCHEMBL5612323 | 0.65 | ADRA2A (0.55) | ADRA2AADRA1AADRA2BADRA2CADRA1D | |
| Fumaric Acid SCHEMBL27521800 | 0.64 | ADRA2A (0.69) | ADRA2AADRA1AADRA2BADRA2CADRA1D | |
| Clonidine SCHEMBL15234061 | 0.64 | ADRA2A (0.76) | ADRA2AADRA1AADRA2BADRA2CADRA1D | |
| Brimonidine SCHEMBL20511553 | 0.63 | ADRA2A (0.80) | ADRA2AADRA1AADRA2BADRA2CADRA1D |
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-5663189-A | RESPIRATORY, EYES, GASTROINTESTINAL | THE PROCTER & GAMBLE COMPANY (US) | 1997-09-02 | — | — | US | disclosed |