Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 10/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 7/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.45 |
| ▸ | EP300 | Q09472 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL3166495 | 0.92 | SLC1A2 (0.44) | USP2CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3155601 | 0.90 | ADORA2A (0.42) | USP2CYP1A2CYP3A4CLK4ADORA2B | |
| SCHEMBL3162484 | 0.90 | MAPT (0.44) | CHRM4ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL3163864 | 0.89 | LMNA (0.43) | USP2ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL3164671 | 0.88 | ADORA2A (0.41) | USP2CYP1A2CYP3A4CLK4ADORA2B | |
| SCHEMBL3171368 | 0.88 | ADORA3 (0.45) | USP2ADORA2BADORA2AADORA1ADORA3 | |
| SCHEMBL3165360 | 0.88 | PHGDH (0.43) | ABCG2ABCB1ABCC1USP2CYP1A2 | |
| SCHEMBL3260451 | 0.88 | SLC1A2 (0.52) | USP2CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3174104 | 0.87 | ADORA2A (0.41) | CYP1A2CYP3A4CLK4ADORA2BADORA2A | |
| SCHEMBL3175769 | 0.85 | ADORA2A (0.45) | USP2CYP1A2CYP3A4CYP2D6CLK4 |
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 |