Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | MEF2D | Q14814 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | P4HB | P07237 | 6/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | PYGL | P06737 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL3169445 | 1.00 | CYP1A2 (0.47) | CYP1A2USP2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3156177 | 0.92 | CYP1A2 (0.55) | CYP1A2USP2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3156170 | 0.92 | CYP1A2 (0.55) | CYP1A2USP2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3166829 | 0.90 | CYP1A2 (0.51) | CYP1A2USP2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3166815 | 0.90 | CYP1A2 (0.51) | CYP1A2USP2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3170630 | 0.87 | KMT2A (0.49) | CYP1A2CYP3A4CYP2D6PIM2HPGD | |
| SCHEMBL3170642 | 0.87 | KMT2A (0.49) | CYP1A2CYP3A4CYP2D6PIM2HPGD | |
| SCHEMBL3175851 | 0.84 | USP2 (0.41) | CYP1A2USP2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3175844 | 0.84 | USP2 (0.41) | CYP1A2USP2CYP3A4CYP2D6CLK4 | |
| SCHEMBL3171377 | 0.84 | ALDH1A1 (0.56) | HPGDALDH1A1MAPTLMNAMAPK1 |
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 |