Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 15/20 | 0.71 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8229392 | 0.87 | HDAC1 (0.68) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL4426482 | 0.87 | HDAC1 (0.68) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL3643629 | 0.85 | HDAC1 (0.77) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL3643627 | 0.82 | HDAC1 (0.73) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL4120548 | 0.82 | HDAC1 (0.76) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL4316366 | 0.82 | HDAC1 (0.62) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL4419408 | 0.81 | HDAC1 (0.73) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL4578938 | 0.81 | HDAC1 (0.74) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL2359218 | 0.80 | HDAC1 (0.57) | HDAC1HDAC2KCNH2HDAC3 | |
| SCHEMBL4120547 | 0.80 | HDAC1 (0.73) | 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 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 |