Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 4/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.33 |
| ▸ | POLQ | O75417 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3238241 | 0.91 | MEN1 (0.34) | HDAC3HDAC1HDAC6POLQMEN1 | |
| SCHEMBL3232050 | 0.83 | HDAC3 (0.40) | HDAC3HDAC1NPC1HTTRAB9A | |
| SCHEMBL3230030 | 0.81 | MAPT (0.43) | HDAC3HDAC1MEN1MAPTKMT2A | |
| SCHEMBL3236466 | 0.80 | HDAC1 (0.41) | HDAC3HDAC1HDAC6 | |
| SCHEMBL3230256 | 0.80 | HDAC3 (0.38) | HDAC3HDAC1HDAC6MPO | |
| SCHEMBL3236511 | 0.80 | HDAC3 (0.38) | HDAC3HDAC1HDAC6MPO | |
| SCHEMBL3235399 | 0.77 | HDAC3 (0.35) | HDAC3HDAC1HDAC6MAPTNPC1 | |
| SCHEMBL3235377 | 0.76 | HDAC3 (0.42) | HDAC3HDAC1MAPTNPC1MAPK1 | |
| SCHEMBL3237799 | 0.74 | HDAC3 (0.36) | HDAC3HDAC1HDAC6MAPTNPC1 | |
| SCHEMBL3235350 | 0.74 | MAPT (0.46) | HDAC3HDAC1MEN1MAPTKMT2A |
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 | disclosed |