Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FADS1 | O60427 | 2/20 | 0.66 |
| ▸ | GAK | O14976 | 4/20 | 0.58 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.48 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.48 |
| ▸ | MARK3 | P27448 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.48 |
| ▸ | GSK3A | P49840 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | PRKCZ | Q05513 | 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 | |
|---|---|---|---|---|
| SCHEMBL21121890 | 0.90 | FADS1 (0.59) | FADS1GAKAPPNR4A2GAA | |
| SCHEMBL4737841 | 0.90 | GAK (0.69) | FADS1GAKKDRMAPKAPK2PTK6 | |
| SCHEMBL29200458 | 0.85 | GAK (0.64) | GAKGAAMAPTPRKD3MAP4K4 | |
| SCHEMBL28845712 | 0.85 | EGFR (0.66) | FADS1GAKPRKD3MAP4K4MARK3 | |
| SCHEMBL19633641 | 0.83 | FADS1 (0.71) | FADS1GAKAPPNR4A2GAA | |
| SCHEMBL5929021 | 0.83 | MAPT (0.69) | GAKAPPNR4A2GAAMAPT | |
| SCHEMBL28845634 | 0.82 | GAK (0.55) | FADS1GAKPRKD3MAP4K4MARK3 | |
| SCHEMBL29200480 | 0.82 | GAK (0.57) | FADS1GAKAPPNR4A2PRKD3 | |
| Metaquine SCHEMBL7205743 | 0.81 | FADS1 (0.71) | FADS1GAKAPPNR4A2GAA | |
| SCHEMBL19633659 | 0.81 | ALK (0.72) | FADS1GAKAPPNR4A2GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114773267-B | [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof | 沈阳药科大学 | 2024-01-26 | — | — | CN | claimed |
| CN-114773267-A | [ (7-trifluoromethyl quinoline-4-yl) amino ] benzamide compound and preparation and application thereof | 沈阳药科大学 | 2022-07-22 | — | — | CN | disclosed |