Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 20/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.64 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.60 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1639637 | 0.87 | HDAC1 (0.73) | HDAC1KCNH2HDAC3HDAC2 | |
| SCHEMBL1640194 | 0.87 | HDAC1 (0.65) | HDAC1KCNH2HDAC3 | |
| SCHEMBL8161162 | 0.83 | HDAC1 (0.70) | HDAC1KCNH2HDAC3HDAC2 | |
| SCHEMBL4069836 | 0.83 | HDAC1 (0.72) | HDAC1KCNH2HDAC3HDAC2 | |
| SCHEMBL1639270 | 0.82 | HDAC1 (0.71) | HDAC1KCNH2HDAC3HDAC2 | |
| SCHEMBL1640904 | 0.82 | HDAC1 (0.79) | HDAC1KCNH2HDAC3HDAC2 | |
| SCHEMBL4068946 | 0.82 | HDAC1 (0.70) | HDAC1KCNH2HDAC3HDAC2 | |
| SCHEMBL4067024 | 0.80 | HDAC1 (0.70) | HDAC1KCNH2HDAC3HDAC2 | |
| SCHEMBL1639098 | 0.80 | HDAC1 (0.87) | HDAC1KCNH2HDAC3HDAC2 | |
| SCHEMBL4070242 | 0.80 | HDAC1 (0.71) | HDAC1KCNH2HDAC3HDAC2 |
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 | claimed |