Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 20/20 | 0.57 |
| ▸ | HSP90AB1 | P08238 | 18/20 | 0.57 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.51 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13159967 | 0.91 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL3796738 | 0.91 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL3796729 | 0.91 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL3801883 | 0.90 | HSP90AA1 (0.62) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL13160325 | 0.89 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL13800828 | 0.88 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL3804685 | 0.88 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL3798722 | 0.88 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL3798731 | 0.88 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL29592196 | 0.88 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1TRAP1HSP90B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010117425-A1 | CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE | BIOGEN IDEC MA INC. (US) | 2010-10-14 | — | — | WO | disclosed |
| WO-2010117425-A1 | CERTAIN SUBSTITUTED PYRIMIDINES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS FOR THEIR USE | BIOGEN IDEC MA INC. (US) | 2010-10-14 | — | — | WO | disclosed |