Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 9/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 8/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.43 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6467052 | 0.82 | HDAC1 (0.47) | HDAC1HDAC3HDAC6HDAC4HDAC7 | |
| SCHEMBL6466422 | 0.82 | HDAC6 (0.50) | HDAC1HDAC3HDAC6HDAC4HDAC7 | |
| SCHEMBL6464482 | 0.82 | CYP1A2 (0.41) | CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL6676845 | 0.76 | CYP1A2 (0.43) | CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL6467339 | 0.75 | HDAC1 (0.58) | HDAC1HDAC3HDAC6HDAC2HDAC8 | |
| SCHEMBL6062993 | 0.75 | EPHX2 (0.41) | CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9 | |
| SCHEMBL6466215 | 0.72 | SMN1; SMN2 (0.42) | HDAC1HDAC3HDAC6HDAC4HDAC7 | |
| SCHEMBL7043362 | 0.72 | KCNA5 (0.39) | HDAC6CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL31530570 | 0.64 | LMNA (0.46) | HDAC1HDAC3PLA2G4ACES1CYP3A4 | |
| SCHEMBL2631739 | 0.64 | HDAC1 (0.60) | HDAC1HDAC3HDAC6PLA2G4ACES1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |