Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 15/20 | 0.48 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13042147 | 0.87 | KMT2A (0.60) | KMT2ANPC1ALDH1A1LMNABACE1 | |
| SCHEMBL13043122 | 0.86 | LMNA (0.51) | KMT2ANPC1ALDH1A1LMNABACE1 | |
| SCHEMBL13041734 | 0.86 | KMT2A (0.58) | KMT2ANPC1ALDH1A1LMNABACE1 | |
| SCHEMBL3588334 | 0.85 | BACE1 (0.66) | BACE1BACE2 | |
| SCHEMBL13042151 | 0.84 | KMT2A (0.54) | KMT2ANPC1ALDH1A1LMNABACE1 | |
| SCHEMBL13042150 | 0.83 | KMT2A (0.55) | KMT2ANPC1ALDH1A1LMNABACE1 | |
| SCHEMBL13041735 | 0.79 | KMT2A (0.51) | KMT2ANPC1ALDH1A1LMNABACE1 | |
| SCHEMBL3594890 | 0.79 | BACE1 (0.64) | KMT2ABACE1BACE2 | |
| SCHEMBL13041737 | 0.76 | BACE1 (0.52) | KMT2ANPC1ALDH1A1LMNABACE1 | |
| SCHEMBL12111988 | 0.75 | ALDH1A1 (0.54) | KMT2ANPC1ALDH1A1LMNABACE1 |
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-7847100-B2 | 1,3,5-substituted phenyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease | Merck, Sharp & Dohme, Inc. (US) | 2010-12-07 | — | — | US | disclosed |