Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | DHFR | P00374 | 5/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | TYMS | P04818 | 3/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 5/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.34 |
| ▸ | DCK | P27707 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4097120 | 0.85 | HSP90AB1 (0.40) | NPC1DHFRTYMSEGFRKDR | |
| SCHEMBL4096143 | 0.80 | NPC1 (0.47) | NPC1DHFRTYMSEGFRKDR | |
| SCHEMBL4372093 | 0.76 | GCGR (0.38) | NPC1HSP90AA1 | |
| SCHEMBL4102760 | 0.74 | HSP90AB1 (0.41) | DHFREGFRKDRHSP90AA1HSP90AB1 | |
| SCHEMBL13927519 | 0.72 | HSP90AA1 (0.48) | DHFRTYMSEGFRKDRHSP90AA1 | |
| SCHEMBL4085571 | 0.72 | NPC1 (0.42) | NPC1DHFRADORA3TYMSEGFR | |
| SCHEMBL17349607 | 0.71 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1 | |
| SCHEMBL17349616 | 0.70 | HSP90AA1 (0.56) | NPC1HSP90AA1HSP90AB1 | |
| SCHEMBL13928062 | 0.70 | HPGD (0.40) | NPC1 | |
| SCHEMBL14642199 | 0.69 | LRRK2 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2036895-A1 | HSP90 INHIBITOR | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-03-18 | — | — | EP | claimed |
| EP-2036895-A1 | HSP90 INHIBITOR | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-03-18 | — | — | EP | disclosed |