Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 7/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.31 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12046449 | 0.83 | HSP90AA1 (0.33) | HSP90AA1HSP90AB1MEN1NPC1ALDH1A1 | |
| SCHEMBL12046453 | 0.76 | HSP90AA1 (0.34) | HSP90AA1HSP90AB1 | |
| SCHEMBL2517410 | 0.75 | HSP90AA1 (0.35) | HSP90AA1HSP90AB1TRPV1HSP90B1TRAP1 | |
| SCHEMBL1148822 | 0.73 | HSP90AA1 (0.43) | HSP90AA1HSP90AB1 | |
| SCHEMBL1148835 | 0.73 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1MEN1NPC1ALDH1A1 | |
| SCHEMBL1148555 | 0.72 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1MEN1NPC1ALDH1A1 | |
| SCHEMBL1147883 | 0.71 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1ALDH1A1LMNAALOX12 | |
| SCHEMBL1344457 | 0.67 | HSP90AA1 (0.32) | HSP90AA1HSP90AB1ALDH1A1KMT2A | |
| SCHEMBL14609914 | 0.66 | ALDH1A1 (0.34) | HSP90AA1HSP90AB1TRPV1MEN1NPC1 | |
| SCHEMBL1148518 | 0.66 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8034834-B2 | Method for treating proliferative disorders with HSP90 inhibitors | SYNTA PHARMACEUTICALS CORP. (US) | 2011-10-11 | — | — | US | disclosed |