Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 13/20 | 0.62 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL420352 | 0.83 | HSP90AA1 (0.62) | HSP90AA1MAP4K4CSNK1G2CLK4MKNK2 | |
| SCHEMBL951144 | 0.82 | HSP90AA1 (0.65) | HSP90AA1 | |
| SCHEMBL949261 | 0.82 | HSP90AA1 (0.46) | HSP90AA1MAP4K4CSNK1G2CLK4MKNK2 | |
| SCHEMBL950332 | 0.81 | HSP90AA1 (0.51) | HSP90AA1CLK4MAP4K5 | |
| SCHEMBL2183368 | 0.80 | HSP90AA1 (0.49) | HSP90AA1MAP4K4CSNK1G2CLK4MKNK2 | |
| SCHEMBL949494 | 0.78 | HSP90AA1 (1.00) | HSP90AA1 | |
| SCHEMBL424104 | 0.77 | HSP90AA1 (0.64) | HSP90AA1 | |
| SCHEMBL15367073 | 0.75 | HSP90AA1 (0.66) | HSP90AA1MAP4K4CSNK1G2CLK4MKNK2 | |
| SCHEMBL950675 | 0.75 | HSP90AA1 (0.49) | HSP90AA1CLK4MAP4K5 | |
| SCHEMBL26613435 | 0.74 | CA12 (0.60) | MAP4K4CSNK1G2CLK4MKNK2MAP4K5 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011004132-A1 | NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-01-13 | — | — | WO | claimed |
| WO-2011004132-A1 | NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-01-13 | — | — | WO | disclosed |
| WO-2011004132-A1 | NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-01-13 | — | — | WO | disclosed |