Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 17/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 7/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4425269 | 0.90 | HDAC1 (0.56) | HDAC1HDAC2HDAC3 | |
| SCHEMBL4431676 | 0.87 | HDAC1 (0.69) | HDAC1HDAC2HDAC3 | |
| SCHEMBL4433148 | 0.84 | HDAC1 (0.57) | HDAC1HDAC2HDAC3 | |
| SCHEMBL2206326 | 0.82 | HDAC1 (0.57) | HDAC1HDAC2HDAC3 | |
| SCHEMBL2207763 | 0.82 | HDAC1 (0.72) | HDAC1HDAC2HDAC3 | |
| SCHEMBL4419279 | 0.80 | HDAC1 (0.59) | HDAC1HDAC2HDAC3 | |
| SCHEMBL2206781 | 0.80 | HDAC1 (0.75) | HDAC1HDAC2HDAC3 | |
| SCHEMBL2211095 | 0.79 | HDAC1 (0.59) | HDAC1HDAC2HDAC3 | |
| SCHEMBL2209425 | 0.79 | HDAC1 (0.63) | HDAC1HDAC2HDAC3 | |
| SCHEMBL4311244 | 0.78 | HDAC1 (0.68) | HDAC1HDAC2HDAC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049124-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | Merck & Co., Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008010985-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2008-01-24 | — | — | WO | disclosed |