Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 19/20 | 0.85 |
| ▸ | HDAC1 | Q13547 | 18/20 | 0.85 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.85 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL1640711 | 0.92 | KCNH2 (1.00) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1640951 | 0.90 | KCNH2 (0.89) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL20181475 | 0.88 | KCNH2 (1.00) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1639773 | 0.88 | KCNH2 (1.00) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL21315491 | 0.88 | KCNH2 (0.71) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL21324816 | 0.87 | HDAC1 (0.72) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1639109 | 0.87 | KCNH2 (1.00) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1639641 | 0.86 | HDAC1 (0.88) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL2204017 | 0.86 | KCNH2 (0.76) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1640954 | 0.85 | KCNH2 (1.00) | 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 | claimed |