Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7086276 | 0.83 | MEN1 (0.39) | NPC1ALDH1A1KDM1AKDM4EMEN1 | |
| SCHEMBL10305035 | 0.80 | AR (0.45) | NPC1TGFBR1AR | |
| SCHEMBL13745269 | 0.76 | HSP90AA1 (0.50) | HSP90AA1 | |
| SCHEMBL13745641 | 0.76 | KCNH2 (0.39) | NPC1ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL8010465 | 0.72 | METAP1 (0.45) | ALDH1A1KDM1AKDM4EMEN1MAPT | |
| SCHEMBL7236762 | 0.72 | NPC1 (0.51) | NPC1KDM1AMEN1MAPTKMT2A | |
| Ammonia Solution, Strong SCHEMBL12472687 | 0.71 | METAP1 (0.44) | ALDH1A1KDM1AKDM4EMEN1MAPT | |
| SCHEMBL29901139 | 0.71 | ALDH1A1 (0.62) | NPC1ALDH1A1KEAP1MEN1KMT2A | |
| SCHEMBL7085683 | 0.69 | PIM1 (0.38) | NPC1ALDH1A1KDM4EMEN1MAPT | |
| Hydrochloric Acid SCHEMBL7234599 | 0.69 | NPC1 (0.49) | NPC1KDM1AMEN1MAPTKMT2A |
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 |