Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 6/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 3/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10304946 | 0.83 | CTSA (0.43) | KCNH2TGFBR1GRM5 | |
| SCHEMBL22841384 | 0.81 | TRPV3 (0.43) | TGFBR1ALDH1A1TLR8 | |
| SCHEMBL13745259 | 0.76 | NPC1 (0.42) | TGFBR1CCNE1CDK2CCNE2ALDH1A1 | |
| SCHEMBL13745269 | 0.76 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1 | |
| SCHEMBL20878875 | 0.74 | MAP4K4 (0.47) | TLR8KDM4EMEN1MAPTKMT2A | |
| SCHEMBL996802 | 0.74 | NOS2 (0.41) | TGFBR1CCNE1CDK2ALDH1A1GRM5 | |
| SCHEMBL13534470 | 0.74 | SCN9A (0.46) | TGFBR1ALDH1A1TLR8NPC1MEN1 | |
| SCHEMBL6205528 | 0.73 | SMN1; SMN2 (0.39) | CCNE1CDK2CCNE2ALDH1A1NPC1 | |
| SCHEMBL244011 | 0.72 | CCR1 (0.46) | KCNH2TGFBR1CCNE1CDK2HSP90AA1 | |
| SCHEMBL19091155 | 0.71 | CYP1A2 (0.35) | KCNH2TGFBR1KDM4EMEN1MAPT |
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 |