Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.35 |
| ▸ | SUV39H2 | Q9H5I1 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.32 |
| ▸ | MTOR | P42345 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | POLQ | O75417 | 1/20 | 0.31 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL14029892 | 0.92 | HSP90AB1 (0.35) | HSP90AB1HSP90AA1SUV39H2HSD17B10TSHR | |
| SCHEMBL14048036 | 0.88 | HSP90AB1 (0.36) | HSP90AB1HSP90AA1SUV39H2HSD17B10TSHR | |
| SCHEMBL14029885 | 0.84 | HSP90AA1 (0.36) | HSP90AB1HSP90AA1SUV39H2TSHRGAA | |
| SCHEMBL14029893 | 0.84 | HSP90AB1 (0.34) | HSP90AB1HSP90AA1SUV39H2HSD17B10TSHR | |
| SCHEMBL14029888 | 0.81 | HSP90AB1 (0.54) | HSP90AB1HSP90AA1TSHRGAAMAPK1 | |
| SCHEMBL14029886 | 0.81 | HSP90AA1 (0.43) | HSP90AB1HSP90AA1SUV39H2HSD17B10TSHR | |
| SCHEMBL5003479 | 0.77 | HSP90AA1 (0.40) | HSP90AB1HSP90AA1HSD17B10TSHRGAA | |
| SCHEMBL5002654 | 0.77 | HSP90AA1 (0.39) | HSP90AA1HSD17B10SMN1; SMN2ALDH1A1 | |
| SCHEMBL14029895 | 0.74 | MAPT (0.38) | HSP90AB1HSP90AA1HSD17B10TSHRMAPK1 | |
| SCHEMBL14925007 | 0.74 | HSP90AA1 (0.37) | HSP90AB1HSP90AA1HSD17B10TSHRPIK3CA |
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-8399464-B2 | using a triazole compound; anticancer agent | NIPPON KAYAKU KABUSHIKI KAISHA (JP) | 2013-03-19 | — | — | US | disclosed |