Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 16/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 15/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.37 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6036330 | 0.86 | CDK1 (0.44) | HSP90AB1HSP90AA1 | |
| SCHEMBL851861 | 0.83 | FDPS (0.32) | — | |
| SCHEMBL6959953 | 0.81 | FDPS (0.38) | HDAC6HDAC1 | |
| SCHEMBL9014630 | 0.79 | FDPS (0.36) | HSP90AB1HSP90AA1HDAC6HDAC1 | |
| SCHEMBL15789757 | 0.77 | CDK1 (0.50) | HSP90AB1HSP90AA1HDAC6HDAC1HDAC4 | |
| SCHEMBL2120550 | 0.76 | FDPS (0.45) | HDAC6HDAC1 | |
| SCHEMBL27035498 | 0.76 | HDAC6 (0.35) | HSP90AB1HSP90AA1HDAC6HDAC1HSP90B1 | |
| SCHEMBL523465 | 0.76 | XDH (0.47) | — | |
| SCHEMBL120720 | 0.75 | ADORA2A (0.49) | — | |
| SCHEMBL972628 | 0.75 | HSP90AB1 (0.42) | HSP90AB1HSP90AA1HDAC6HDAC1HSP90B1 |
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-2433941-A1 | Process for isolating the antiviral agent [1S-(1alpha, 3alpha, 4beta)]-2-amino-1,9-dihydro-9-[4-hydroxy-3-(hydroxymethyl)-2-methylenecyclopentyl]-6H-purin-6-one | Bristol-Myers Squibb Company (US) | 2012-03-28 | — | — | EP | disclosed |