Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 17/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 12/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4720338 | 0.88 | KCNQ3 (0.47) | HDAC1HDAC2HDAC3 | |
| SCHEMBL651385 | 0.84 | HDAC2 (0.49) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL2211418 | 0.78 | HDAC1 (0.52) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL4578606 | 0.77 | HDAC1 (0.70) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL3652484 | 0.74 | HDAC2 (0.49) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL651783 | 0.71 | KCNQ3 (0.52) | HDAC1HDAC2HDAC3KCNH2 | |
| SCHEMBL4580709 | 0.71 | TDP1 (0.51) | HDAC1HDAC2HDAC3 | |
| SCHEMBL4120102 | 0.71 | HDAC1 (0.53) | HDAC1HDAC2HDAC3HDAC4HDAC7 | |
| SCHEMBL1930977 | 0.70 | HDAC1 (0.53) | HDAC1HDAC2HDAC3 | |
| SCHEMBL4760165 | 0.70 | DGAT1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1954698-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | Merck & Co., Inc. (US) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007061978-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |
| WO-2007061880-A1 | SPIROCYCLIC COMPOUNDS AS HDAC INHIBITORS | MERCK & CO., INC. (US) | 2007-05-31 | — | — | WO | disclosed |