Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 2/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 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 | |
|---|---|---|---|---|
| SCHEMBL28172764 | 0.86 | CYP46A1 (0.43) | CYP46A1CYP2D6TSHRALDH1A1CYP11B1 | |
| SCHEMBL28308750 | 0.82 | CYP2D6 (0.39) | CYP46A1CYP2D6CD274PDCD1EPHX1 | |
| SCHEMBL27732755 | 0.78 | NUDT1 (0.40) | CYP1A2CYP2C19CYP2D6CYP3A4CLK4 | |
| SCHEMBL21742570 | 0.77 | PDCD1 (0.46) | CD274PDCD1EGFRMAPK14 | |
| SCHEMBL28172765 | 0.76 | IDO1 (0.51) | CYP46A1CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL30142137 | 0.74 | CYP1A2 (0.50) | HPGDCYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL7505751 | 0.74 | CYP1A2 (0.50) | HPGDCYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL24312483 | 0.73 | CYP2D6 (0.43) | CYP46A1CYP1A2CYP2C19CYP2D6CYP3A4 | |
| SCHEMBL27908490 | 0.73 | MAPK14 (0.37) | CYP1A2CYP2C19CYP2D6CYP3A4TSHR | |
| SCHEMBL9181341 | 0.73 | CD274 (0.67) | NPC1HPGDRAB9ASMN1; SMN2CD274 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109942497-A | Polysubstituted pyrimidone compound and preparation method thereof | 南京工业大学 | 2019-06-28 | — | — | CN | disclosed |