Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 13/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27856466 | 0.85 | HSP90AA1 (0.50) | HSP90AA1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL421919 | 0.78 | HSP90AA1 (0.44) | HSP90AA1SMN1; SMN2 | |
| SCHEMBL426294 | 0.76 | HSP90AA1 (0.60) | HSP90AA1 | |
| SCHEMBL28798148 | 0.75 | HSP90AA1 (0.47) | HSP90AA1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL2184084 | 0.73 | HSP90AA1 (0.45) | HSP90AA1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL421583 | 0.72 | HSP90AA1 (0.53) | HSP90AA1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL1394276 | 0.71 | HSP90AA1 (0.51) | HSP90AA1 | |
| SCHEMBL1394528 | 0.70 | HSP90AA1 (0.52) | HSP90AA1 | |
| SCHEMBL1394538 | 0.69 | HSP90AA1 (0.53) | HSP90AA1KDM4EALDH1A1HPGD | |
| SCHEMBL425541 | 0.68 | HSP90AA1 (0.51) | HSP90AA1KDM4EALDH1A1HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-102439003-A | Indazole derivatives inhibiting HSP90, compositions containing said derivatives and uses thereof | SANOFI AVENTIS | 2012-05-02 | — | — | CN | disclosed |