Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FADS1 | O60427 | 1/20 | 0.71 |
| ▸ | GAK | O14976 | 2/20 | 0.55 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.52 |
| ▸ | CYP2C8 | P10632 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | ALK | Q9UM73 | 2/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.50 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | FERMT2 | Q96AC1 | 1/20 | 0.49 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4740996 | 0.89 | FADS1 (0.71) | FADS1GAKAPPNR4A2TGFBR1 | |
| SCHEMBL19633680 | 0.89 | FADS1 (0.63) | FADS1GAKAPPNR4A2GAA | |
| SCHEMBL19633640 | 0.89 | GAK (0.60) | FADS1GAKTGFBR1ALKFERMT2 | |
| Metaquine SCHEMBL7205743 | 0.84 | FADS1 (0.71) | FADS1GAKAPPNR4A2GAA | |
| SCHEMBL19633659 | 0.84 | ALK (0.72) | FADS1GAKAPPNR4A2GAA | |
| SCHEMBL19633642 | 0.84 | EGFR (0.71) | FADS1GAKTGFBR1ALKFERMT2 | |
| SCHEMBL28845692 | 0.83 | FADS1 (0.66) | FADS1GAKAPPNR4A2GAA | |
| SCHEMBL4740569 | 0.83 | FADS1 (1.00) | FADS1GAKAPPNR4A2GAA | |
| SCHEMBL9452123 | 0.82 | MAPT (0.74) | GAKAPPNR4A2GAAMAPT | |
| SCHEMBL19633647 | 0.82 | GAK (0.66) | GAKTGFBR1ERBB2PTK6EGFR |
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 |