Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 13/20 | 0.55 |
| ▸ | HDAC2 | Q92769 | 10/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL4320230 | 0.88 | HDAC1 (0.59) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL2311100 | 0.87 | HDAC1 (0.59) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL4316366 | 0.86 | HDAC1 (0.62) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL2212139 | 0.83 | HDAC1 (0.55) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL2212144 | 0.82 | HDAC1 (0.57) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL2207996 | 0.81 | HDAC1 (0.56) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL2207988 | 0.81 | HDAC1 (0.61) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL4426486 | 0.79 | HDAC1 (0.71) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL2212146 | 0.78 | HDAC1 (0.53) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL4320239 | 0.76 | HDAC1 (0.56) | 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 |
|---|---|---|---|---|---|---|---|
| JP-2009544611-A | — | — | 2009-12-17 | — | — | JP | claimed |
| EP-2049124-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | Merck & Co., Inc. (US) | 2009-04-22 | — | — | EP | claimed |
| WO-2008010985-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2008-01-24 | — | — | WO | claimed |
| US-7981874-B2 | Phosphorus derivatives as histone deacetylase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-07-19 | — | — | US | disclosed |