Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 8/20 | 0.60 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.60 |
| ▸ | PLA2G4A | P47712 | 2/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.41 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL501281 | 0.75 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1PLA2G4AALDH1A1HPGD | |
| SCHEMBL501252 | 0.74 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1TUBB4ATUBBTUBA3C | |
| SCHEMBL500767 | 0.73 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1PLA2G4AALDH1A1HPGD | |
| SCHEMBL501037 | 0.72 | HSP90AA1 (0.45) | HSP90AA1HSP90AB1PLA2G4AALDH1A1GAA | |
| SCHEMBL500690 | 0.72 | HSP90AA1 (0.44) | HSP90AA1HSP90AB1PLA2G4AGAA | |
| SCHEMBL3704937 | 0.71 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1 | |
| SCHEMBL501016 | 0.71 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1PLA2G4AALDH1A1HPGD | |
| SCHEMBL501151 | 0.70 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1PLA2G4AALDH1A1HPGD | |
| SCHEMBL500980 | 0.70 | CCR6 (0.46) | HSP90AA1HSP90AB1ALDH1A1HPGDRAB9A | |
| SCHEMBL227115 | 0.68 | ESR1 (0.73) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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-2323737-A2 | TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY | Synta Pharmaceuticals Corp. (US) | 2011-05-25 | — | — | EP | disclosed |