Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 15/20 | 0.55 |
| ▸ | HSP90AB1 | P08238 | 13/20 | 0.55 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.40 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14567909 | 0.92 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1TRAP1HSP90B1ADORA3 | |
| SCHEMBL14568075 | 0.88 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1TRAP1HSP90B1ADORA3 | |
| SCHEMBL14568334 | 0.88 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL14506532 | 0.86 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL1394699 | 0.80 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL13539607 | 0.80 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1TRAP1HSP90B1ADORA2A | |
| SCHEMBL14567901 | 0.77 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL14568333 | 0.76 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1TRAP1HSP90B1 | |
| SCHEMBL14506525 | 0.76 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1ADORA3ADORA2AADORA2B | |
| SCHEMBL14567912 | 0.76 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1TRAP1HSP90B1ADORA3 |
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-2007035963-A2 | ANTI-TUMOR METHODS USING MULTI DRUG RESISTANCE INDEPENDENT SYNTHETIC HSP90 INHIBITORS | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-03-29 | — | — | WO | disclosed |