Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 8/20 | 0.51 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.51 |
| ▸ | JAK3 | P52333 | 3/20 | 0.46 |
| ▸ | MTOR | P42345 | 7/20 | 0.44 |
| ▸ | ATR | Q13535 | 9/20 | 0.43 |
| ▸ | PRKDC | P78527 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 2/20 | 0.42 |
| ▸ | JAK2 | O60674 | 2/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.42 |
| ▸ | PAK4 | O96013 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | CSF1R | P07333 | 2/20 | 0.42 |
| ▸ | RET | P07949 | 2/20 | 0.42 |
| ▸ | LTK | P29376 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14909151 | 0.80 | PIK3CA (0.55) | PIK3CAPIK3R1JAK3MTORATR | |
| SCHEMBL5413458 | 0.71 | PIK3CA (0.50) | PIK3CAPIK3R1JAK3MTORATR | |
| Tert-Butyl Formate SCHEMBL27910758 | 0.71 | PIK3CA (0.43) | PIK3CAPIK3R1JAK3MTORATR | |
| SCHEMBL16835984 | 0.69 | PIK3CA (0.48) | PIK3CAPIK3R1JAK3MTORATR | |
| SCHEMBL12006072 | 0.68 | PIK3CA (1.00) | PIK3CAPIK3R1JAK3MTORKDM4E | |
| SCHEMBL24584581 | 0.67 | ALDH1A1 (0.46) | PIK3CAPIK3R1KDM4EALDH1A1GAA | |
| SCHEMBL3130856 | 0.67 | PIK3CA (0.72) | PIK3CAPIK3R1JAK3MTORKDM4E | |
| SCHEMBL18557385 | 0.67 | PIK3CA (0.67) | PIK3CAPIK3R1JAK3MTORKDM4E | |
| SCHEMBL942469 | 0.66 | PIK3CB (0.51) | PIK3CAPIK3R1JAK3PRKDCGAA | |
| SCHEMBL30828738 | 0.65 | JAK3 (0.59) | PIK3CAPIK3R1JAK3MTORKDM4E |
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-2012002577-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | 富士フイルム株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |