Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 19/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 10/20 | 0.68 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.68 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4721578 | 0.83 | HDAC1 (0.54) | HDAC1HDAC3KCNH2HDAC2 | |
| SCHEMBL1640200 | 0.81 | HDAC1 (1.00) | HDAC1HDAC3KCNH2HDAC2 | |
| SCHEMBL1640304 | 0.81 | HDAC1 (0.80) | HDAC1HDAC3KCNH2HDAC2 | |
| SCHEMBL12727254 | 0.80 | HDAC1 (0.65) | HDAC1HDAC3KCNH2HDAC2 | |
| SCHEMBL1639796 | 0.79 | HDAC1 (1.00) | HDAC1HDAC3KCNH2HDAC2 | |
| SCHEMBL1640675 | 0.76 | KCNH2 (0.74) | HDAC1HDAC3KCNH2HDAC2 | |
| SCHEMBL4721527 | 0.74 | HDAC1 (0.54) | HDAC1HDAC3KCNH2HDAC2 | |
| SCHEMBL1689215 | 0.73 | HDAC2 (0.75) | HDAC1HDAC3HDAC2 | |
| SCHEMBL18653509 | 0.73 | HDAC2 (0.75) | HDAC1HDAC3HDAC2 | |
| SCHEMBL4761565 | 0.72 | HDAC1 (0.53) | HDAC1HDAC3KCNH2HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007061978-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | claimed |
| WO-2007061978-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |