Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 7/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3261958 | 0.92 | ADORA2B (0.43) | GBA1MGLLMAPTHPGDALDH1A1 | |
| SCHEMBL3169097 | 0.88 | SMN1; SMN2 (0.45) | GBA1MGLLTP53MAPTHPGD | |
| SCHEMBL3164315 | 0.86 | GBA1 (0.50) | GBA1MGLLTP53MAPTHPGD | |
| SCHEMBL3174398 | 0.85 | GBA1 (0.48) | GBA1MGLLTP53MAPTHPGD | |
| SCHEMBL3165387 | 0.85 | GBA1 (0.45) | GBA1MGLLTP53MAPTHPGD | |
| SCHEMBL3256289 | 0.84 | GBA1 (0.44) | GBA1MGLLTP53MAPTHPGD | |
| SCHEMBL3166449 | 0.84 | GBA1 (0.49) | GBA1MGLLTP53MAPTHPGD | |
| SCHEMBL3174564 | 0.84 | GBA1 (0.50) | GBA1MGLLSMN1; SMN2USP2CASP1 | |
| SCHEMBL3164890 | 0.84 | AKR1C3 (0.47) | GBA1MAPTHPGDSMN1; SMN2HRH4 | |
| SCHEMBL3156444 | 0.84 | GBA1 (0.46) | GBA1MAPTHPGDSMN1; SMN2HRH4 |
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-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |