Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 16/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 12/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.45 |
| ▸ | HDAC5 | Q9UQL6 | 4/20 | 0.45 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3467952 | 0.90 | HDAC1 (0.54) | HDAC1HDAC3HDAC6HDAC4HDAC2 | |
| SCHEMBL3467081 | 0.90 | HDAC1 (0.50) | HDAC1HDAC3HDAC6HDAC4HDAC2 | |
| SCHEMBL3466790 | 0.88 | CNR2 (0.53) | HDAC1HDAC3HDAC6HDAC4HDAC2 | |
| SCHEMBL3467318 | 0.88 | HDAC1 (0.51) | HDAC1HDAC3HDAC6HDAC4HDAC2 | |
| SCHEMBL3467582 | 0.87 | HDAC1 (0.55) | HDAC1HDAC3HDAC6HDAC4HDAC2 | |
| SCHEMBL3467866 | 0.86 | HDAC1 (0.52) | HDAC1HDAC3HDAC6HDAC4HDAC2 | |
| SCHEMBL3467021 | 0.84 | CNR1 (0.48) | HDAC1HDAC3HDAC6HDAC4HDAC2 | |
| SCHEMBL7919740 | 0.83 | HDAC1 (0.53) | HDAC1HDAC3HDAC6HDAC4HDAC2 | |
| SCHEMBL3467225 | 0.83 | HDAC1 (0.57) | HDAC1HDAC3HDAC6HDAC4HDAC2 | |
| SCHEMBL7914257 | 0.83 | HDAC1 (0.49) | HDAC1HDAC3HDAC6HDAC4HDAC2 |
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-2010073078-A2 | HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2010-07-01 | — | — | WO | claimed |
| WO-2010073078-A2 | HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2010-07-01 | — | — | WO | disclosed |
| WO-2010073078-A2 | HETEROCYCLIC COMPOUNDS AS HDAC INHIBITORS | ORCHID RESEARCH LABORATORIES LTD. (IN) | 2010-07-01 | — | — | WO | disclosed |