Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 9/20 | 0.42 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15225372 | 0.91 | HSP90AA1 (0.50) | HSP90AA1HSP90AB1 | |
| SCHEMBL2470167 | 0.89 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1KDM4EALDH1A1 | |
| SCHEMBL15225168 | 0.88 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1CHEK1 | |
| SCHEMBL15225529 | 0.88 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1 | |
| SCHEMBL15225405 | 0.88 | HSP90AA1 (0.41) | HSP90AA1HSP90AB1 | |
| SCHEMBL15225388 | 0.87 | HSP90AA1 (0.51) | HSP90AA1HSP90AB1 | |
| SCHEMBL2469909 | 0.87 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1KDM4E | |
| SCHEMBL2470280 | 0.87 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1DRD4 | |
| SCHEMBL15225455 | 0.86 | HSP90AA1 (0.39) | HSP90AA1HSP90AB1KDM4EALDH1A1 | |
| SCHEMBL15225500 | 0.86 | RAB9A (0.47) | HSP90AA1DRD3ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2370437-B1 | BICYCLIC PYRAZOLE AND ISOXAZOLE DERIVATIVES AS ANTITUMOR AND ANTINEURODEGENERATIVE AGENTS | NERVIANO MEDICAL SCIENCES SRL (IT) | 2013-09-04 | — | — | EP | disclosed |