Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 9/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3260451 | 0.87 | SLC1A2 (0.52) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL3165370 | 0.87 | GFER (0.47) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL3169880 | 0.86 | ADORA3 (0.46) | CHRM4CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL3156095 | 0.83 | SLC1A2 (0.46) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL3175769 | 0.80 | ADORA2A (0.45) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL3177170 | 0.80 | NTSR1 (0.46) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL3171368 | 0.80 | ADORA3 (0.45) | TSHRADORA3SLC1A2ADORA2AADORA1 | |
| SCHEMBL3166495 | 0.80 | SLC1A2 (0.44) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL3246822 | 0.79 | ADORA2B (0.60) | CHRM4CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL3155892 | 0.79 | ADORA2A (0.46) | CYP1A2CYP3A4CYP2D6TSHRCYP2C19 |
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 |