Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 12/20 | 0.62 |
| ▸ | HDAC2 | Q92769 | 11/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1689288 | 0.90 | HDAC1 (0.57) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL2107723 | 0.86 | KCNH2 (0.68) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL1689187 | 0.86 | HDAC1 (0.69) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL2107623 | 0.81 | HDAC1 (0.68) | HDAC1HDAC2HDAC3 | |
| SCHEMBL2108846 | 0.80 | HDAC1 (0.64) | HDAC1HDAC2HDAC3 | |
| SCHEMBL1689312 | 0.80 | HDAC2 (0.62) | HDAC1HDAC2HDAC3 | |
| SCHEMBL4306069 | 0.79 | HDAC1 (0.65) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL2109101 | 0.77 | HDAC1 (1.00) | HDAC1HDAC2HDAC3 | |
| SCHEMBL2107764 | 0.77 | HDAC1 (0.60) | HDAC1HDAC2HDAC3 | |
| SCHEMBL2685764 | 0.77 | HDAC1 (0.60) | HDAC1HDAC2KCNH2HDAC3 |
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-B1 | MODIFIED MALONATE DERIVATIVES | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | claimed |
| US-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | 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 |