Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 18/20 | 0.72 |
| ▸ | HDAC1 | Q13547 | 18/20 | 0.72 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.72 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.62 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.61 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.61 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| SCHEMBL1640951 | 0.89 | KCNH2 (0.89) | KCNH2HDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL1640711 | 0.84 | KCNH2 (1.00) | KCNH2HDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL4579810 | 0.79 | HDAC3 (0.79) | KCNH2HDAC1HDAC2HDAC3HDAC10 | |
| SCHEMBL2206986 | 0.79 | HDAC1 (0.75) | KCNH2HDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL2210003 | 0.79 | HDAC1 (0.75) | KCNH2HDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL2206984 | 0.79 | HDAC1 (0.75) | KCNH2HDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL4077966 | 0.79 | KCNH2 (0.85) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL1639109 | 0.78 | KCNH2 (1.00) | KCNH2HDAC1HDAC2HDAC3 | |
| SCHEMBL20181475 | 0.78 | KCNH2 (1.00) | KCNH2HDAC1HDAC2HDAC3HDAC4 | |
| SCHEMBL2204017 | 0.78 | KCNH2 (0.76) | 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 |