Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3958267 | 0.85 | GAA (0.56) | GAAPDE4AALDH1A1CYP3A4ADRA2B | |
| Ammonia Solution, Strong SCHEMBL8976449 | 0.84 | PDE4A (0.51) | PDE4ATDP1MAPTKMT2A | |
| SCHEMBL11572304 | 0.83 | GAA (0.43) | GAAPDE4AALDH1A1CYP3A4TDP1 | |
| SCHEMBL19478537 | 0.79 | ALDH1A1 (0.59) | GAAPDE4AALDH1A1CYP3A4TDP1 | |
| SCHEMBL11584591 | 0.78 | ALDH1A1 (0.63) | GAAALDH1A1MEN1MAPTKMT2A | |
| Fumaric Acid SCHEMBL8866086 | 0.75 | CA1 (0.49) | PDE4AALDH1A1CYP3A4CYP2C19KMT2A | |
| SCHEMBL12089851 | 0.75 | ALDH1A1 (0.55) | GAAALDH1A1CYP3A4ADRA2BPTGS1 | |
| SCHEMBL20693253 | 0.74 | TUBB4A (0.41) | GAAHTR2A | |
| SCHEMBL31480917 | 0.74 | ALDH1A1 (0.46) | GAAALDH1A1CYP3A4ADRA2BPTGS1 | |
| SCHEMBL28344005 | 0.74 | ALDH1A1 (0.59) | ALDH1A1CYP2C19MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2076497-A1 | AMINOMETHYL-4-IMIDAZOLES | F. Hoffmann-Roche AG (CH) | 2009-07-08 | — | — | EP | disclosed |
| WO-2008046757-A1 | AMINOMETHYL-4-IMIDAZOLES | F. HOFFMANN-LA ROCHE AG (CH) | 2008-04-24 | — | — | WO | disclosed |