Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 7/20 | 0.36 |
| ▸ | PDE4A | P27815 | 9/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 9/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 9/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 9/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 3/20 | 0.33 |
| ▸ | ATIC | P31939 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12413543 | 0.74 | GDA (0.34) | ALDH1A1GDAADORA2BATIC | |
| SCHEMBL15759316 | 0.65 | GDA (0.39) | ALDH1A1GDAATIC | |
| SCHEMBL13771834 | 0.65 | ATIC (0.47) | ALDH1A1GDAATIC | |
| SCHEMBL662729 | 0.62 | GDA (0.40) | ALDH1A1GDAATIC | |
| SCHEMBL19090547 | 0.61 | SMN1; SMN2 (0.38) | ALDH1A1KDM4ELMNAMAPT | |
| SCHEMBL13753310 | 0.59 | F2 (0.42) | ALDH1A1KDM4EGLAHPGDHIF1A | |
| SCHEMBL17210366 | 0.58 | MEN1 (0.33) | ALDH1A1HIF1AADORA2AADORA2BPDE4A | |
| SCHEMBL20656217 | 0.58 | MEN1 (0.33) | ALDH1A1HIF1AADORA2AADORA2BPDE4A | |
| SCHEMBL15414257 | 0.57 | GDA (0.42) | ALDH1A1GDAATIC | |
| SCHEMBL14154963 | 0.57 | F2 (0.40) | ALDH1A1KDM4EGLAHPGDHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2465859-A1 | 8-Triazolylxanthine derivatives, processes for their production and their use as adenosine receptor antagonists | Life & Brain GmbH (DE) | 2012-06-20 | — | — | EP | disclosed |