Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLQ | O75417 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3233689 | 0.86 | HDAC1 (0.42) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL3236792 | 0.83 | HDAC1 (0.42) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL3233805 | 0.78 | KDM4E (0.36) | POLQHDAC1HDAC3KDM4EALDH1A1 | |
| SCHEMBL3241080 | 0.69 | MPO (0.40) | HDAC1HDAC3 | |
| SCHEMBL3238241 | 0.69 | MEN1 (0.34) | POLQHDAC1HDAC6HDAC3ALDH1A1 | |
| SCHEMBL1064934 | 0.69 | HDAC3 (0.42) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL3230345 | 0.67 | MLYCD (0.35) | HDAC1HDAC3 | |
| SCHEMBL3230365 | 0.66 | HDAC1 (0.43) | HDAC1HDAC3ALDH1A1HPGDCES1 | |
| SCHEMBL3237764 | 0.66 | HDAC1 (0.69) | HDAC1HDAC6HDAC2HDAC3HDAC4 | |
| SCHEMBL3236511 | 0.66 | HDAC3 (0.38) | HDAC1HDAC6HDAC2HDAC3 |
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 |