Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BIRC5 | O15392 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.34 |
| ▸ | MTOR | P42345 | 3/20 | 0.34 |
| ▸ | PIK3C2A | O00443 | 2/20 | 0.34 |
| ▸ | PIK3C2B | O00750 | 2/20 | 0.34 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.34 |
| ▸ | CSF1R | P07333 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.34 |
| ▸ | LTK | P29376 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2183119 | 0.87 | BIRC5 (0.37) | BIRC5HSP90AA1ABCG2PIK3CAMTOR | |
| SCHEMBL951332 | 0.84 | BIRC5 (0.37) | BIRC5HSP90AA1ABCG2PARP10PARP11 | |
| SCHEMBL425541 | 0.83 | HSP90AA1 (0.51) | BIRC5HSP90AA1ABCG2ALDH1A1NPC1 | |
| SCHEMBL952602 | 0.83 | HSP90AA1 (0.51) | BIRC5HSP90AA1ABCG2ALDH1A1NPC1 | |
| SCHEMBL2183124 | 0.82 | BIRC5 (0.38) | BIRC5HSP90AA1ABCG2PIK3CAMTOR | |
| SCHEMBL949653 | 0.80 | HSP90AA1 (0.56) | HSP90AA1 | |
| SCHEMBL420055 | 0.78 | HSP90AA1 (0.49) | BIRC5HSP90AA1ABCG2ALDH1A1NPC1 | |
| SCHEMBL950675 | 0.78 | HSP90AA1 (0.49) | BIRC5HSP90AA1ABCG2ALDH1A1NPC1 | |
| SCHEMBL1394564 | 0.78 | HSP90AA1 (0.46) | BIRC5HSP90AA1NPC1MAPTRAB9A | |
| SCHEMBL2181737 | 0.76 | CYP11B1 (0.42) | HSP90AA1NPC1MAPTRAB9APIK3CA |
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-2011004132-A1 | NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF | SANOFI-AVENTIS (FR) | 2011-01-13 | — | — | WO | disclosed |