Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 20/20 | 0.56 |
| ▸ | BACE2 | Q9Y5Z0 | 8/20 | 0.52 |
| ▸ | CTSD | P07339 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL932889 | 0.99 | BACE1 (0.55) | BACE1BACE2CTSD | |
| SCHEMBL932340 | 0.85 | BACE1 (0.67) | BACE1BACE2CTSD | |
| SCHEMBL934283 | 0.85 | BACE1 (0.67) | BACE1BACE2CTSD | |
| SCHEMBL932814 | 0.85 | BACE1 (0.46) | BACE1BACE2 | |
| Hydrochloric Acid SCHEMBL932077 | 0.84 | BACE1 (0.66) | BACE1BACE2CTSD | |
| SCHEMBL966237 | 0.80 | BACE1 (0.74) | BACE1BACE2CTSD | |
| Hydrochloric Acid SCHEMBL968228 | 0.79 | BACE1 (0.73) | BACE1BACE2CTSD | |
| SCHEMBL3696178 | 0.73 | BACE1 (0.58) | BACE1BACE2CTSD | |
| SCHEMBL16056555 | 0.72 | BACE1 (0.69) | BACE1BACE2CTSD | |
| SCHEMBL6878650 | 0.72 | BACE1 (0.75) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2451793-A1 | BACE INHIBITORS | Eli Lilly and Company (US) | 2012-05-16 | — | — | EP | disclosed |
| WO-2011005738-A1 | BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2011-01-13 | — | — | WO | disclosed |