Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 12/20 | 0.60 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 0.60 |
| ▸ | HSP90B1 | P14625 | 6/20 | 0.60 |
| ▸ | TRAP1 | Q12931 | 6/20 | 0.60 |
| ▸ | ERBB2 | P04626 | 5/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL18203356 | 0.97 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL11908304 | 0.96 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL11908601 | 0.94 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL1670252 | 0.93 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL18203282 | 0.90 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL11909956 | 0.90 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL1669663 | 0.90 | HSP90AA1 (0.72) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL18203394 | 0.89 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL11909342 | 0.88 | HSP90AA1 (0.58) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 | |
| SCHEMBL17770976 | 0.88 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1HSP90B1TRAP1ERBB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3091019-B1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2019-04-03 | — | — | EP | disclosed |
| EP-3091019-A2 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | Sloan Kettering Institute For Cancer Research (US) | 2016-11-09 | — | — | EP | disclosed |
| EP-2486039-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | Sloan Kettering Institute For Cancer Research (US) | 2012-08-15 | — | — | EP | disclosed |
| WO-2011044394-A1 | PURINE DERIVATIVES USEFUL AS HSP90 INHIBITORS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2011-04-14 | — | — | WO | disclosed |