Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.55 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.46 |
| ▸ | CLK3 | P49761 | 1/20 | 0.46 |
| ▸ | RPS6KB2 | Q9UBS0 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 2/20 | 0.43 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 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 | |
|---|---|---|---|---|
| SCHEMBL6237105 | 0.88 | RPS6KB2 (0.49) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL6236374 | 0.85 | RPS6KB2 (0.54) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 | |
| SCHEMBL6240193 | 0.81 | MAPT (0.51) | CYP3A4CYP2C9DYRK1ACLK2CLK3 | |
| SCHEMBL6237798 | 0.81 | RPS6KB2 (0.52) | DYRK1ARPS6KB2PDGFRBPDGFRADYRK1B | |
| SCHEMBL6256213 | 0.76 | RPS6KB2 (0.60) | KDM4EHSD17B10MAPK1RPS6KB2ALDH1A1 | |
| SCHEMBL6240032 | 0.76 | RPS6KB2 (0.42) | CYP3A4CYP2C9HSD17B10MAPK1RPS6KB2 | |
| SCHEMBL6239563 | 0.75 | RPS6KB2 (0.53) | CYP3A4CYP2C9KDM4EHSD17B10MAPK1 | |
| SCHEMBL6236199 | 0.75 | RPS6KB2 (0.41) | CYP3A4CYP2C9HSD17B10MAPK1RPS6KB2 | |
| SCHEMBL6234238 | 0.75 | RPS6KB2 (0.44) | CYP3A4CYP2C9KDM4EHSD17B10MAPK1 | |
| SCHEMBL6237157 | 0.74 | RPS6KB2 (0.54) | CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6 |
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-2005007099-A2 | PKB INHIBITORS AS ANTI-TUMOR AGENTS | IMCLONE SYSTEMS INCORPORATED (US) | 2005-01-27 | — | — | WO | disclosed |