Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 13/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | MTOR | P42345 | 3/20 | 0.38 |
| ▸ | PIK3C2A | O00443 | 2/20 | 0.38 |
| ▸ | PIK3C2B | O00750 | 2/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.38 |
| ▸ | PRKDC | P78527 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | CSF1R | P07333 | 1/20 | 0.38 |
| ▸ | MET | P08581 | 1/20 | 0.38 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.38 |
| ▸ | LTK | P29376 | 1/20 | 0.38 |
| ▸ | CDK7 | P50613 | 1/20 | 0.38 |
| ▸ | NEK2 | P51955 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL952602 | 0.85 | HSP90AA1 (0.51) | HSP90AA1PTGS1PTGS2PIK3CAMTOR | |
| SCHEMBL951144 | 0.83 | HSP90AA1 (0.65) | HSP90AA1 | |
| SCHEMBL421583 | 0.82 | HSP90AA1 (0.53) | HSP90AA1PIK3CAMTORPIK3C2APIK3C2B | |
| SCHEMBL950332 | 0.80 | HSP90AA1 (0.51) | HSP90AA1PTGS1PTGS2PIK3CAMTOR | |
| SCHEMBL947823 | 0.78 | PIK3CA (0.40) | HSP90AA1PTGS1PTGS2PIK3CAMTOR | |
| SCHEMBL949997 | 0.77 | HSP90AA1 (0.75) | HSP90AA1 | |
| SCHEMBL421857 | 0.76 | HSP90AA1 (0.51) | HSP90AA1PIK3CAMTORPIK3C2APIK3C2B | |
| SCHEMBL2692049 | 0.71 | HSP90AA1 (0.54) | HSP90AA1 | |
| SCHEMBL15445880 | 0.70 | PDGFRB (0.60) | PIK3CAMTORPIK3CDPIK3CBPIK3CG | |
| SCHEMBL12944196 | 0.70 | HSP90AA1 (0.87) | HSP90AA1 |
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 |