Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | MTNR1A | P48039 | 8/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.46 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.46 |
| ▸ | PRKACA | P17612 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3171330 | 0.92 | CA1 (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3166238 | 0.90 | ALDH1A1 (0.54) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3156387 | 0.89 | ADORA2A (0.48) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3165164 | 0.89 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3163133 | 0.87 | TP53 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3171164 | 0.85 | MTNR1A (0.49) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3163050 | 0.85 | BCHE (0.45) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3155983 | 0.85 | MTNR1B (0.51) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3162245 | 0.84 | ALDH1A1 (0.47) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 | |
| SCHEMBL3171179 | 0.83 | KMT2A (0.50) | CYP1A2CYP3A4CYP2D6CYP2C19CLK4 |
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 |