Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 19/20 | 0.39 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.36 |
| ▸ | CTSD | P07339 | 3/20 | 0.36 |
| ▸ | CTSE | P14091 | 2/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8292925 | 1.00 | BACE1 (0.39) | BACE1BACE2CTSDCTSESCN9A | |
| SCHEMBL12742772 | 1.00 | BACE1 (0.39) | BACE1BACE2CTSDCTSESCN9A | |
| SCHEMBL8293905 | 1.00 | BACE1 (0.39) | BACE1BACE2CTSDCTSESCN9A | |
| SCHEMBL12741933 | 0.93 | BACE1 (0.42) | BACE1BACE2CTSDCTSESCN9A | |
| SCHEMBL13167515 | 0.88 | BACE1 (0.39) | BACE1BACE2CTSDCTSESCN9A | |
| SCHEMBL12264735 | 0.88 | BACE1 (0.39) | BACE1BACE2CTSDCTSESCN9A | |
| SCHEMBL8292924 | 0.86 | BACE1 (0.41) | BACE1BACE2CTSDCTSESCN9A | |
| SCHEMBL12364766 | 0.85 | JAK2 (0.38) | SCN9A | |
| SCHEMBL12264684 | 0.83 | BACE1 (0.35) | BACE1BACE2CTSDCTSESCN9A | |
| SCHEMBL13167523 | 0.83 | BACE1 (0.35) | BACE1BACE2CTSDCTSESCN9A |
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-7598250-B2 | Cyclic amine BACE-1 inhibitors having a heterocyclic substituent | SCHERING CORPORATION (US) | 2009-10-06 | — | — | US | disclosed |