Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARG | Q86W56 | 1/20 | 0.46 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | IDH1 | O75874 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.35 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.35 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18548573 | 0.81 | CYP19A1 (0.49) | PARGHRH4HRH3NOS1DAO | |
| SCHEMBL31142836 | 0.78 | DAO (0.46) | HRH4HRH3NOS1DAOIDH1 | |
| SCHEMBL24970982 | 0.78 | DAO (0.46) | HRH4HRH3NOS1DAOIDH1 | |
| SCHEMBL31142960 | 0.78 | DAO (0.64) | PARGDAOPDGFRBPDGFRAFLT3 | |
| SCHEMBL31143054 | 0.78 | DAO (0.64) | PARGDAOIDH1GRIN2DGRIN3B | |
| SCHEMBL24970981 | 0.78 | DAO (0.64) | PARGDAOPDGFRBPDGFRAFLT3 | |
| SCHEMBL19126568 | 0.78 | DAO (0.64) | PARGHRH4DAOFLT3CDK5 | |
| SCHEMBL10140668 | 0.78 | DAO (0.64) | PARGDAOIDH1GRIN2DGRIN3B | |
| SCHEMBL5817414 | 0.76 | IDH1 (0.47) | HRH4HRH3MAPK1IDH1KDM4E | |
| SCHEMBL1366008 | 0.75 | KDM4E (0.48) | HRH4HRH3NOS1DAOIDH1 |
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 |