Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 10/20 | 0.59 |
| ▸ | HSP90AB1 | P08238 | 13/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 12/20 | 0.55 |
| ▸ | HSP90B1 | P14625 | 4/20 | 0.55 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1669699 | 0.92 | ERBB2 (0.69) | ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL18203383 | 0.91 | ERBB2 (0.69) | ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL17771097 | 0.87 | ERBB2 (0.60) | ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL17771096 | 0.87 | ERBB2 (0.56) | ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL17771104 | 0.87 | ERBB2 (0.61) | ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL15610191 | 0.86 | HSP90AB1 (0.55) | ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL17771095 | 0.86 | ERBB2 (0.56) | ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL17787533 | 0.85 | HSP90AB1 (0.57) | ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL1669913 | 0.85 | HSP90AB1 (0.69) | ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1 | |
| SCHEMBL17771527 | 0.84 | HSP90AB1 (0.55) | ERBB2HSP90AB1HSP90AA1HSP90B1TRAP1 |
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-2694505-B1 | HSP90 INHIBITORS | SLOAN KETTERING INST CANCER RES (US) | 2022-04-27 | — | — | EP | disclosed |