Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC2 | Q92769 | 8/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.41 |
| ▸ | WDR5 | P61964 | 4/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2685468 | 0.87 | HDAC1 (0.51) | HDAC2HDAC3HDAC1 | |
| SCHEMBL2687804 | 0.84 | HDAC1 (0.50) | HDAC2HDAC3HDAC1 | |
| SCHEMBL5547754 | 0.80 | ABCB1 (0.58) | HDAC2HDAC3HDAC1ABCB1 | |
| SCHEMBL2686378 | 0.77 | HDAC1 (0.54) | HDAC2HDAC3HDAC1 | |
| SCHEMBL2684600 | 0.77 | HDAC2 (0.61) | HDAC2HDAC3HDAC1ABCB1KCNH2 | |
| SCHEMBL2686788 | 0.77 | HDAC2 (0.57) | HDAC2HDAC3HDAC1 | |
| SCHEMBL2686695 | 0.77 | HDAC1 (0.53) | HDAC2HDAC3HDAC1 | |
| SCHEMBL2685411 | 0.77 | HDAC1 (0.52) | HDAC2HDAC3HDAC1ABCB1 | |
| SCHEMBL14775934 | 0.75 | ABCB1 (0.40) | HDAC2HDAC3HDAC1ABCB1 | |
| SCHEMBL2686432 | 0.75 | HDAC1 (0.52) | HDAC2HDAC3HDAC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1991226-B1 | INHIBITORS OF HISTONE DEACETYLASE | MERCK SHARP & DOHME (US) | 2013-03-20 | — | — | EP | disclosed |