Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 15/20 | 0.57 |
| ▸ | HSP90AB1 | P08238 | 15/20 | 0.57 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.57 |
| ▸ | TRAP1 | Q12931 | 4/20 | 0.57 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.51 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL17770985 | 0.95 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1ERBB2TRAP1HSP90B1 | |
| SCHEMBL17770988 | 0.93 | HSP90AA1 (0.55) | HSP90AA1HSP90AB1ERBB2TRAP1HSP90B1 | |
| SCHEMBL17770990 | 0.92 | HSP90AA1 (0.69) | HSP90AA1HSP90AB1ERBB2TRAP1HSP90B1 | |
| SCHEMBL17770995 | 0.92 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1ERBB2TRAP1HSP90B1 | |
| SCHEMBL1669419 | 0.90 | HSP90AA1 (0.72) | HSP90AA1HSP90AB1ERBB2TRAP1HSP90B1 | |
| SCHEMBL17770989 | 0.89 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1ERBB2TRAP1HSP90B1 | |
| SCHEMBL17770991 | 0.89 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1ERBB2TRAP1HSP90B1 | |
| SCHEMBL17770997 | 0.89 | HSP90AB1 (0.56) | HSP90AA1HSP90AB1ERBB2TRAP1HSP90B1 | |
| SCHEMBL17770982 | 0.88 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1ERBB2TRAP1HSP90B1 | |
| SCHEMBL17770993 | 0.88 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1ERBB2TRAP1HSP90B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9346808-B2 | Hsp90 inhibitors | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2016-05-24 | — | — | US | disclosed |