Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 8/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| SCHEMBL3161606 | 0.94 | ADORA1 (0.47) | ALDH1A1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL3171439 | 0.91 | ADORA3 (0.43) | ALDH1A1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL3165191 | 0.91 | ADORA2A (0.51) | ALDH1A1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL3171920 | 0.90 | ADORA1 (0.47) | ALDH1A1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL3176064 | 0.90 | WNT3A (0.45) | ALDH1A1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL3163144 | 0.90 | ADORA3 (0.46) | ALDH1A1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL3164709 | 0.89 | NPC1 (0.47) | ALDH1A1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL3163125 | 0.89 | NPC1 (0.47) | ALDH1A1ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL3162838 | 0.89 | ADORA3 (0.58) | ADORA1ADORA2AADORA3ADORA2B | |
| SCHEMBL3162425 | 0.89 | EGFR (0.53) | ALDH1A1EGFR |
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 |