Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.63 |
| ▸ | GAK | O14976 | 5/20 | 0.62 |
| ▸ | RIPK2 | O43353 | 3/20 | 0.62 |
| ▸ | COQ8A | Q8NI60 | 2/20 | 0.62 |
| ▸ | NLK | Q9UBE8 | 2/20 | 0.62 |
| ▸ | RET | P07949 | 2/20 | 0.61 |
| ▸ | RAF1 | P04049 | 3/20 | 0.59 |
| ▸ | BRAF | P15056 | 3/20 | 0.59 |
| ▸ | HTR1A | P08908 | 2/20 | 0.56 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.56 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | KDR | P35968 | 3/20 | 0.54 |
| ▸ | GSK3A | P49840 | 1/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.52 |
| ▸ | CDK2 | P24941 | 2/20 | 0.50 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19633799 | 0.90 | GAK (0.60) | PKMYT1GAKRIPK2COQ8ANLK | |
| SCHEMBL19633676 | 0.90 | GAK (0.68) | GAKRIPK2COQ8ANLKHTR1A | |
| SCHEMBL25466634 | 0.85 | GAK (0.70) | GAKRIPK2COQ8ANLKHTR1A | |
| SCHEMBL19633632 | 0.85 | GAK (0.62) | GAKRIPK2COQ8ANLKHTR1A | |
| SCHEMBL19633634 | 0.85 | EGFR (0.72) | GAKRIPK2COQ8ANLKHTR1A | |
| SCHEMBL6434581 | 0.84 | EGFR (0.73) | PKMYT1GAKRIPK2COQ8ANLK | |
| SCHEMBL30420470 | 0.83 | GAK (0.67) | GAKRIPK2COQ8ANLKRET | |
| SCHEMBL19633703 | 0.83 | GAK (0.60) | GAKRIPK2COQ8ANLKHTR1A | |
| Hydrochloric Acid SCHEMBL6436424 | 0.82 | EGFR (0.72) | PKMYT1GAKRIPK2COQ8ANLK | |
| SCHEMBL21121679 | 0.82 | HTT (0.64) | GAKRIPK2COQ8ANLKHTR1A |
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 |