Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 15/20 | 0.42 |
| ▸ | HSP90AB1 | P08238 | 14/20 | 0.42 |
| ▸ | HSP90B1 | P14625 | 7/20 | 0.41 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | TRAP1 | Q12931 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5142341 | 0.94 | HSP90AA1 (0.47) | HSP90AA1HSP90AB1HSP90B1ERBB2HDAC3 | |
| SCHEMBL5132561 | 0.89 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1HSP90B1ERBB2TRAP1 | |
| SCHEMBL5131899 | 0.83 | HSP90AA1 (0.59) | HSP90AA1HSP90AB1HSP90B1ERBB2HDAC3 | |
| SCHEMBL5035593 | 0.76 | HSP90AA1 (0.56) | HSP90AA1HSP90AB1HSP90B1HDAC3HDAC4 | |
| SCHEMBL3465421 | 0.73 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1HSP90B1ERBB2HDAC3 | |
| SCHEMBL3124067 | 0.71 | HSP90AA1 (0.54) | HSP90AA1HSP90AB1HSP90B1ERBB2HDAC3 | |
| SCHEMBL5130186 | 0.71 | HSP90AB1 (0.56) | HSP90AA1HSP90AB1HSP90B1ERBB2HDAC3 | |
| SCHEMBL3124508 | 0.71 | HSP90AB1 (0.57) | HSP90AA1HSP90AB1HSP90B1ERBB2HDAC3 | |
| SCHEMBL13731589 | 0.70 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1 | |
| SCHEMBL15980449 | 0.69 | HSP90AA1 (0.74) | HSP90AA1HSP90AB1HSP90B1ERBB2HDAC3 |
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-1962863-A2 | ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 | Conforma Therapeutics Corporation (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007075572-A2 | ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |