Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 15/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 9/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.45 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL5137947 | 0.92 | HDAC1 (0.53) | HDAC1HDAC2HDAC3 | |
| SCHEMBL5075712 | 0.92 | HDAC1 (0.53) | HDAC1HDAC2HDAC3 | |
| SCHEMBL5579382 | 0.74 | HDAC3 (0.53) | HDAC1HDAC2HDAC3GSK3BIDO1 | |
| SCHEMBL5579378 | 0.74 | HDAC3 (0.53) | HDAC1HDAC2HDAC3GSK3BIDO1 | |
| SCHEMBL5079028 | 0.69 | IDO1 (0.55) | HDAC1HDAC2HDAC3GSK3BIDO1 | |
| SCHEMBL5082100 | 0.69 | IDO1 (0.55) | HDAC1HDAC2HDAC3GSK3BIDO1 | |
| SCHEMBL6038011 | 0.67 | GSK3B (0.72) | GSK3BIDO1 | |
| SCHEMBL6038005 | 0.67 | GSK3B (0.72) | GSK3BIDO1 | |
| SCHEMBL5579406 | 0.67 | IDO1 (0.61) | GSK3BIDO1 | |
| SCHEMBL5579410 | 0.67 | IDO1 (0.61) | GSK3BIDO1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007022638-A1 | BENZODIAZEPINE AND BENZOPIPERAZINE ANALOG INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2007-03-01 | — | — | WO | disclosed |