Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATR | Q13535 | 2/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | PI4KA | P42356 | 1/20 | 0.46 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | JAK1 | P23458 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | JAK3 | P52333 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL790788 | 0.91 | NPC1 (0.54) | ATRROCK1DGAT1JAK2JAK1 | |
| SCHEMBL790400 | 0.85 | PI4KA (0.48) | ATRPI4KAPIK3CGMAPTDGAT1 | |
| SCHEMBL789511 | 0.85 | SMN1; SMN2 (0.59) | ATRTP53SMN1; SMN2MAPTMAPK14 | |
| SCHEMBL790786 | 0.85 | ALDH1A1 (0.52) | PI4KAPIK3CGMAPTJAK2JAK1 | |
| SCHEMBL789721 | 0.81 | MAPK14 (0.51) | SMN1; SMN2MAPTMAPK14NPC1RAB9A | |
| SCHEMBL791145 | 0.81 | KDR (0.46) | TP53MAPK1MAPTHDAC1NPC1 | |
| SCHEMBL789670 | 0.77 | PI4KA (0.51) | TP53SMN1; SMN2MAPK1PI4KAPIK3CG | |
| SCHEMBL807273 | 0.76 | ALDH1A1 (0.53) | TP53SMN1; SMN2PI4KAPIK3CGJAK2 | |
| SCHEMBL789696 | 0.73 | JAK2 (0.48) | TP53SMN1; SMN2MAPK1PI4KAPIK3CG | |
| Formic Acid SCHEMBL790534 | 0.73 | ALDH1A1 (0.50) | SMN1; SMN2PI4KAPIK3CGJAK2JAK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |
| WO-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |