Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 7/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.37 |
| ▸ | NCOR2 | Q9Y618 | 3/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1064934 | 0.91 | HDAC3 (0.42) | HDAC3HDAC1HDAC2HDAC10HDAC6 | |
| SCHEMBL2122406 | 0.84 | HDAC1 (0.42) | ALDH1A1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL16369620 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL3242812 | 0.83 | ALDH1A1 (0.40) | ALDH1A1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL3234068 | 0.83 | ACHE (0.46) | ALDH1A1HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL3230256 | 0.78 | HDAC3 (0.38) | HDAC3HDAC1HDAC2HDAC10HDAC6 | |
| SCHEMBL3233951 | 0.78 | HDAC3 (0.42) | TP53HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL3236792 | 0.77 | HDAC1 (0.42) | TP53HDAC3HDAC1HDAC2HDAC10 | |
| SCHEMBL3242809 | 0.77 | HDAC3 (0.36) | HDAC3HDAC1HDAC2HDAC10HDAC6 | |
| SCHEMBL3230242 | 0.76 | HDAC1 (0.43) | HDAC3HDAC1HDAC2HDAC10HDAC6 |
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 |