Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.41 |
| ▸ | P4HB | P07237 | 5/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3156177 | 1.00 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3169453 | 0.92 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3169445 | 0.92 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3156047 | 0.89 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3156062 | 0.89 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3171042 | 0.88 | PIM2 (0.54) | CYP1A2CYP3A4CLK4PIM2ADORA2A | |
| SCHEMBL3171072 | 0.88 | PIM2 (0.54) | CYP1A2CYP3A4CLK4PIM2ADORA2A | |
| SCHEMBL3258039 | 0.84 | USP2 (0.48) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3258045 | 0.84 | USP2 (0.48) | CYP1A2CYP3A4CYP2D6CLK4USP2 | |
| SCHEMBL3165800 | 0.83 | ALDH1A1 (0.56) | PIM2MAOB |
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 |