Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SMO | Q99835 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.42 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28604030 | 1.00 | CYP2C19 (0.47) | CYP2C19POLBRAB9AMAPTHPGD | |
| SCHEMBL28755327 | 0.86 | GAA (0.51) | CYP2C19POLBRAB9AMAPTHPGD | |
| SCHEMBL28611349 | 0.86 | NPC1 (0.48) | CYP2C19POLBRAB9AMAPTHPGD | |
| SCHEMBL28611345 | 0.86 | NPC1 (0.48) | CYP2C19POLBRAB9AMAPTHPGD | |
| SCHEMBL28617810 | 0.84 | GAA (0.54) | CYP2C19POLBRAB9AMAPTHPGD | |
| SCHEMBL28606163 | 0.84 | GAA (0.54) | CYP2C19POLBRAB9AMAPTHPGD | |
| SCHEMBL28617808 | 0.84 | GAA (0.54) | CYP2C19POLBRAB9AMAPTHPGD | |
| SCHEMBL28606166 | 0.84 | GAA (0.54) | CYP2C19POLBRAB9AMAPTHPGD | |
| SCHEMBL28604026 | 0.80 | KMT2A (0.48) | POLBRAB9AMAPTHPGDCYP3A4 | |
| SCHEMBL28598732 | 0.80 | KMT2A (0.48) | POLBRAB9AMAPTHPGDCYP3A4 |
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-108503600-B | Polysubstituted quinoxaline derivative and preparation method thereof | 华侨大学 | 2021-08-03 | — | — | CN | disclosed |