Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 19/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 10/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 9/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NCOR2 | Q9Y618 | 5/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5031042 | 0.83 | HDAC1 (0.71) | HDAC1HDAC2HDAC3MAPK1NCOR2 | |
| SCHEMBL13290275 | 0.80 | HDAC1 (0.54) | HDAC1HDAC2HDAC3MAPK1NCOR2 | |
| SCHEMBL1754331 | 0.80 | HDAC1 (0.68) | HDAC1HDAC2HDAC3MAPK1NCOR2 | |
| SCHEMBL1689494 | 0.75 | HDAC1 (0.64) | HDAC1HDAC2HDAC3MAPK1NCOR2 | |
| SCHEMBL5035397 | 0.75 | HDAC1 (0.65) | HDAC1HDAC2HDAC3MAPK1NCOR2 | |
| SCHEMBL1689245 | 0.74 | HDAC1 (0.47) | HDAC1HDAC2HDAC3MAPK1NCOR2 | |
| SCHEMBL1063809 | 0.73 | HDAC1 (0.65) | HDAC1HDAC2HDAC3MAPK1NCOR2 | |
| SCHEMBL3754526 | 0.71 | HDAC1 (0.58) | HDAC1HDAC2HDAC3MAPK1NCOR2 | |
| SCHEMBL1689312 | 0.71 | HDAC2 (0.62) | HDAC1HDAC2HDAC3 | |
| SCHEMBL13888951 | 0.71 | HDAC1 (0.65) | HDAC1HDAC2HDAC3MAPK1NCOR2 |
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-1896395-A2 | MODIFIED MALONATE DERIVATIVES | Merck & Co., Inc. (US) | 2008-03-12 | — | — | EP | claimed |
| WO-2007002248-A2 | MODIFIED MALONATE DERIVATIVES | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | claimed |
| EP-1896395-A2 | MODIFIED MALONATE DERIVATIVES | Merck & Co., Inc. (US) | 2008-03-12 | — | — | EP | disclosed |
| WO-2007002248-A2 | MODIFIED MALONATE DERIVATIVES | MERCK & CO., INC. (US) | 2007-01-04 | — | — | WO | disclosed |