Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 14/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 11/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3228522 | 0.80 | HDAC3 (0.53) | HDAC1HDAC3PKMHDAC2 | |
| SCHEMBL3262235 | 0.80 | HDAC1 (0.59) | HDAC1HDAC3NCOR2HDAC2 | |
| SCHEMBL3234097 | 0.78 | HDAC1 (0.48) | HDAC1HDAC3NCOR2HDAC2 | |
| SCHEMBL3235060 | 0.78 | KDM4E (0.38) | HDAC1HDAC3NCOR2 | |
| SCHEMBL3237174 | 0.76 | HDAC1 (0.41) | HDAC1HDAC3NCOR2HDAC2 | |
| SCHEMBL3238636 | 0.74 | HDAC3 (0.36) | HDAC1HDAC3 | |
| SCHEMBL3238553 | 0.73 | HDAC1 (0.44) | HDAC1HDAC3NCOR2HDAC2 | |
| SCHEMBL3241863 | 0.72 | HDAC1 (0.52) | HDAC1HDAC3NCOR2HDAC2 | |
| SCHEMBL3227550 | 0.69 | HDAC1 (0.52) | HDAC1HDAC3NCOR2HDAC2 | |
| SCHEMBL27757724 | 0.69 | ALDH1A1 (0.37) | HDAC1HDAC3NCOR2HDAC2 |
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-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | claimed |