Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.53 |
| ▸ | BACE2 | Q9Y5Z0 | 11/20 | 0.53 |
| ▸ | CTSD | P07339 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3696178 | 0.88 | BACE1 (0.58) | BACE1BACE2CTSD | |
| SCHEMBL932395 | 0.85 | BACE1 (0.55) | BACE1BACE2CTSD | |
| SCHEMBL932340 | 0.83 | BACE1 (0.67) | BACE1BACE2CTSD | |
| SCHEMBL934283 | 0.83 | BACE1 (0.67) | BACE1BACE2CTSD | |
| Hydrochloric Acid SCHEMBL932077 | 0.83 | BACE1 (0.66) | BACE1BACE2CTSD | |
| SCHEMBL967438 | 0.82 | BACE1 (0.72) | BACE1BACE2CTSD | |
| SCHEMBL968397 | 0.82 | BACE1 (0.72) | BACE1BACE2CTSD | |
| SCHEMBL932583 | 0.76 | BACE1 (0.44) | BACE1 | |
| SCHEMBL14961805 | 0.75 | BACE1 (0.72) | BACE1BACE2CTSD | |
| SCHEMBL933095 | 0.74 | BACE1 (0.35) | BACE1BACE2CTSD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011005738-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-01-13 | — | — | WO | disclosed |