Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL487177 | 1.00 | CYP2D6 (0.44) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL78751 | 1.00 | CYP2D6 (0.44) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL87961 | 0.84 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL12046888 | 0.84 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL6623821 | 0.84 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL21320780 | 0.81 | CYP2D6 (0.45) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL27885874 | 0.79 | CYP2D6 (0.47) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL15984349 | 0.79 | CYP2D6 (0.47) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL15984353 | 0.79 | CYP2D6 (0.41) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL2153662 | 0.77 | CYP2D6 (0.53) | CYP2D6HDAC3HDAC1HDAC2HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| US-8119631-B2 | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-21 | — | — | US | disclosed |