Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.43 |
| ▸ | HSP90B1 | P14625 | 3/20 | 0.43 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.43 |
| ▸ | CNR1 | P21554 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CSF1R | P07333 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL12819999 | 0.97 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1HSP90B1TRAP1CNR1 | |
| SCHEMBL12819775 | 0.95 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1HSP90B1TRAP1HTR3A | |
| SCHEMBL12819737 | 0.92 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12820156 | 0.90 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12820489 | 0.89 | HSP90AA1 (0.38) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12820130 | 0.88 | MELK (0.38) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12820158 | 0.87 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12819961 | 0.87 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1HSP90B1TRAP1CNR1 | |
| SCHEMBL12820382 | 0.87 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1HSP90B1TRAP1 | |
| SCHEMBL12819934 | 0.87 | HSP90AA1 (0.37) | HSP90AA1HSP90AB1HSP90B1TRAP1 |
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-2012126084-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE IΝ THE TREATMENT AND PREVENTION OF FUNGAL INFECTIONS | PHARMASCIENCE INC. (CA) | 2012-09-27 | — | — | WO | disclosed |
| WO-2011035417-A1 | HSP-90 BINDING COMPOUNDS, COMPOSITIONS THEREOF, AND THEIR USE FN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES | AEGERA THERAPEUTICS INC. (CA) | 2011-03-31 | — | — | WO | disclosed |