Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 9/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.46 |
| ▸ | MEF2D | Q14814 | 3/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 7/20 | 0.42 |
| ▸ | SIRT1 | Q96EB6 | 5/20 | 0.42 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5551162 | 0.83 | HSD17B10 (0.41) | CTSK | |
| SCHEMBL5555071 | 0.78 | HDAC4 (0.49) | HDAC1HDAC4HDAC6HDAC2CTSK | |
| SCHEMBL5555087 | 0.78 | SIRT2 (0.52) | SIRT2SIRT1SIRT3 | |
| SCHEMBL5557063 | 0.76 | SIRT2 (0.53) | HDAC1HDAC4HDAC6HDAC2SIRT2 | |
| SCHEMBL3503991 | 0.76 | HDAC1 (0.59) | HDAC1HDAC4HDAC6HDAC2 | |
| SCHEMBL8267897 | 0.76 | HDAC1 (0.59) | HDAC1HDAC4HDAC6HDAC2 | |
| SCHEMBL9053388 | 0.70 | NPC1 (0.56) | HDAC1HDAC2 | |
| SCHEMBL7297305 | 0.69 | NPC1 (0.54) | HDAC1HDAC6SIRT2SIRT1CTSK | |
| SCHEMBL3840105 | 0.69 | MEN1 (0.47) | CTSK | |
| SCHEMBL3844143 | 0.68 | MEN1 (0.48) | CTSK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1784194-A1 | HISTONE DEACETYLASE INHIBITORS | Merck & Co., Inc. (US) | 2007-05-16 | — | — | EP | claimed |
| WO-2006026260-A1 | HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2006-03-09 | — | — | WO | claimed |
| EP-1784194-A1 | HISTONE DEACETYLASE INHIBITORS | Merck & Co., Inc. (US) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006026260-A1 | HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2006-03-09 | — | — | WO | disclosed |