Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | GART | P22102 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2801278 | 0.81 | CASP3 (0.47) | — | |
| SCHEMBL14399461 | 0.79 | CASP3 (0.42) | RAB9A | |
| SCHEMBL12946568 | 0.79 | CASP3 (0.42) | RAB9A | |
| SCHEMBL13202030 | 0.77 | HDAC3 (0.37) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL12946567 | 0.75 | HDAC3 (0.44) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL949813 | 0.75 | HDAC3 (0.44) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL12522029 | 0.75 | HDAC3 (0.44) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2802686 | 0.73 | ATM (0.48) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| Hydrochloric Acid SCHEMBL5946048 | 0.73 | HDAC3 (0.40) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL949954 | 0.72 | REN (0.44) | BACE1 |
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-7288624-B2 | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-30 | — | — | US | disclosed |