Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.38 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3172373 | 0.91 | GRIN2D (0.49) | ADORA2AADORA1ADORA3ADORA2BGRIN2D | |
| SCHEMBL3169774 | 0.91 | ADORA2A (0.43) | ADORA2AADORA1ADORA3ADORA2BALOX15 | |
| SCHEMBL3155863 | 0.90 | NPC1 (0.40) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL3162937 | 0.89 | ADORA2A (0.46) | ADORA2AADORA1ADORA3ADORA2BALOX15 | |
| SCHEMBL3165495 | 0.88 | TDP1 (0.45) | ADORA2AADORA1ADORA3ADORA2BALOX15 | |
| SCHEMBL3166225 | 0.88 | ADORA2A (0.45) | ADORA2AADORA1ADORA3ADORA2BALOX15 | |
| SCHEMBL3174594 | 0.88 | ADORA2A (0.45) | ADORA2AADORA1ADORA3ADORA2BALOX15 | |
| SCHEMBL3175769 | 0.88 | ADORA2A (0.45) | ADORA2AADORA1ADORA3ADORA2BALOX15 | |
| SCHEMBL3171546 | 0.88 | ADORA2A (0.40) | ADORA2AADORA1ADORA3ADORA2BATR | |
| SCHEMBL3162870 | 0.88 | NPSR1 (0.44) | ADORA2AADORA1ADORA3ADORA2BP2RY12 |
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 |