Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 3/20 | 0.39 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 4/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.35 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10305014 | 0.84 | FFAR1 (0.39) | HSP90AA1HSP90AB1TRAP1NPC1ALDH1A1 | |
| SCHEMBL13745638 | 0.80 | ATR (0.41) | NOS1BTKTGFBR1NOS3 | |
| SCHEMBL13745269 | 0.79 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1TRAP1BTK | |
| SCHEMBL2652553 | 0.77 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1TRAP1NPC1ALDH1A1 | |
| SCHEMBL13746030 | 0.75 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1TRAP1NPC1ALDH1A1 | |
| SCHEMBL16068078 | 0.73 | GPBAR1 (0.45) | HSP90AA1HSP90AB1TRAP1RAB9ABTK | |
| SCHEMBL15624618 | 0.71 | MEN1 (0.48) | HSP90AA1HSP90AB1MEN1NPC1ALDH1A1 | |
| SCHEMBL15624615 | 0.71 | ATR (0.39) | BTKMAP4K1RPS6KA2 | |
| SCHEMBL9981152 | 0.71 | OXTR (0.42) | HSP90AA1HSP90AB1TRAP1BTKTGFBR1 | |
| SCHEMBL10305037 | 0.71 | BTK (0.42) | HSP90AA1HSP90AB1MEN1NPC1ALDH1A1 |
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-2009097578-A1 | OXIM DERIVATIVES AS HSP90 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-06 | — | — | WO | disclosed |