Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 17/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 13/20 | 0.55 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 5/20 | 0.45 |
| ▸ | CDK9 | P50750 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3234330 | 0.93 | HDAC1 (0.54) | HDAC1HDAC3NCOR2PIK3CACDK9 | |
| SCHEMBL3235360 | 0.85 | HDAC3 (0.72) | HDAC1HDAC3NCOR2 | |
| SCHEMBL7929398 | 0.82 | HDAC1 (0.74) | HDAC1HDAC3NCOR2 | |
| SCHEMBL7929328 | 0.82 | KCNQ4 (0.43) | HDAC1HDAC3NCOR2 | |
| SCHEMBL7929314 | 0.81 | HDAC3 (0.52) | HDAC1HDAC3 | |
| SCHEMBL2618066 | 0.78 | HDAC1 (0.69) | HDAC1HDAC3NCOR2 | |
| SCHEMBL2618087 | 0.77 | HDAC1 (0.64) | HDAC1HDAC3NCOR2 | |
| SCHEMBL7931728 | 0.77 | HDAC1 (0.67) | HDAC1HDAC3NCOR2 | |
| SCHEMBL3234137 | 0.76 | HDAC3 (0.70) | HDAC1HDAC3NCOR2 | |
| SCHEMBL27757715 | 0.76 | HDAC1 (0.62) | HDAC1HDAC3NCOR2 |
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 3 patents. 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 |
| WO-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | disclosed |
| WO-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | disclosed |