Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAK | O14976 | 3/20 | 0.48 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.48 |
| ▸ | FBP1 | P09467 | 1/20 | 0.47 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.46 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.46 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 5/20 | 0.46 |
| ▸ | ALK | Q9UM73 | 3/20 | 0.45 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19633572 | 0.97 | GAK (0.46) | GAKTGFBR1MAP4K4FBP1RIPK2 | |
| SCHEMBL19633636 | 0.91 | FBP1 (0.51) | GAKTGFBR1MAP4K4FBP1RIPK2 | |
| SCHEMBL19633566 | 0.87 | SIRT2 (0.47) | GAKTGFBR1MAP4K4APPNR4A2 | |
| SCHEMBL19633568 | 0.86 | GAK (0.58) | GAKTGFBR1MAP4K4RIPK2COQ8A | |
| SCHEMBL19633507 | 0.86 | EGFR (0.60) | GAKFBP1RIPK2COQ8ANLK | |
| SCHEMBL19633632 | 0.86 | GAK (0.62) | GAKTGFBR1RIPK2COQ8ANLK | |
| SCHEMBL19633571 | 0.85 | TGFBR1 (0.47) | GAKTGFBR1MAP4K4RIPK2COQ8A | |
| SCHEMBL19633622 | 0.84 | HTR1A (0.56) | GAKTGFBR1RIPK2COQ8ANLK | |
| SCHEMBL19633576 | 0.83 | EGFR (0.48) | GAKTGFBR1MAP4K4RIPK2COQ8A | |
| SCHEMBL19633508 | 0.83 | PTK6 (0.53) | GAKAPPNR4A2EGFRALK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017198196-A1 | QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY | 王子厚 | 2017-11-23 | — | — | WO | disclosed |