Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.42 |
| ▸ | P2RY12 | Q9H244 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CHUK | O15111 | 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 | 0.90 | SLC1A2 (0.44) | CYP1A2CLK4CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL3175769 | 0.89 | ADORA2A (0.45) | CYP1A2CLK4CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL3163421 | 0.89 | HTR1A (0.44) | ALDH1A1ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL3174104 | 0.89 | ADORA2A (0.41) | CYP1A2CLK4CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL3155601 | 0.89 | ADORA2A (0.42) | CYP1A2CLK4CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL3170498 | 0.88 | TSHR (0.41) | CYP1A2CLK4CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL3166360 | 0.88 | HCAR2 (0.42) | CYP1A2CLK4CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL3155892 | 0.88 | ADORA2A (0.46) | CYP1A2CLK4CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL3162937 | 0.88 | ADORA2A (0.46) | CYP1A2CLK4CYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL3165133 | 0.87 | ADORA2A (0.40) | CYP1A2CLK4CYP3A4ALDH1A1ADORA2A |
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 |