Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.39 |
| ▸ | F11 | P03951 | 2/20 | 0.39 |
| ▸ | ADRA1D | P25100 | 4/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3172191 | 0.88 | ADORA2A (0.41) | USP2CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3162386 | 0.87 | OPRD1 (0.46) | CHRM4USP2CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3155892 | 0.85 | ADORA2A (0.46) | USP2CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3162937 | 0.85 | ADORA2A (0.46) | USP2CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3175769 | 0.84 | ADORA2A (0.45) | USP2CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3174594 | 0.84 | ADORA2A (0.45) | USP2CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3166225 | 0.84 | ADORA2A (0.45) | USP2CYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3164900 | 0.83 | ADORA2B (0.42) | DRD2ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3167608 | 0.82 | ADORA2A (0.43) | CYP1A2CYP3A4CYP2D6CLK4ADORA2A | |
| SCHEMBL3165360 | 0.82 | PHGDH (0.43) | 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 |