Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 11/20 | 0.71 |
| ▸ | HSP90AB1 | P08238 | 11/20 | 0.71 |
| ▸ | FLT4 | P35916 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3395258 | 0.83 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1 | |
| SCHEMBL3393884 | 0.83 | HSP90AA1 (0.48) | HSP90AA1HSP90AB1FLT4KDRHPGD | |
| SCHEMBL3395811 | 0.83 | HSP90AA1 (0.57) | HSP90AA1HSP90AB1FLT4KDRHPGD | |
| SCHEMBL3396045 | 0.77 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1 | |
| SCHEMBL3389641 | 0.77 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1 | |
| SCHEMBL3396138 | 0.76 | HSP90AA1 (0.66) | HSP90AA1HSP90AB1PDE5A | |
| SCHEMBL3396299 | 0.75 | HSP90AB1 (1.00) | HSP90AA1HSP90AB1 | |
| SCHEMBL3395476 | 0.75 | HSP90AB1 (0.80) | HSP90AA1HSP90AB1 | |
| SCHEMBL3393834 | 0.72 | HSP90AB1 (0.74) | HSP90AA1HSP90AB1 | |
| SCHEMBL17364335 | 0.72 | ADORA2A (0.60) | FLT4KDRHPGDDAPK1TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2145888-A1 | Deazapurine derivatives as HSP90-Inhibitors | Conforma Therapeutics Corporation (US) | 2010-01-20 | — | — | EP | disclosed |
| EP-1670802-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | Conforma Therapeutic Corporation (US) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005028434-A2 | NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS | CONFORMA THERAPEUTICS CORPORATION (US) | 2005-03-31 | — | — | WO | disclosed |