Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 19/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 18/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.59 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL1640709 | 0.90 | HDAC1 (0.73) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1639127 | 0.82 | HDAC1 (0.75) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL3621838 | 0.81 | HDAC1 (0.71) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1639782 | 0.81 | HDAC1 (0.73) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1640955 | 0.80 | HDAC1 (0.79) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1639868 | 0.80 | HDAC1 (0.69) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1640882 | 0.79 | HDAC1 (0.69) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1639698 | 0.79 | HDAC1 (0.67) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL13811465 | 0.78 | HDAC1 (0.90) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1640470 | 0.78 | HDAC1 (0.82) | KCNH2HDAC1HDAC2HDAC3 |
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-1954698-B1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO INC (US) | 2009-06-24 | — | — | EP | disclosed |