Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 5/20 | 0.36 |
| ▸ | BACE1 | P56817 | 7/20 | 0.35 |
| ▸ | CTSD | P07339 | 2/20 | 0.35 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27853 | 0.82 | PGR (0.39) | PGRBACE1CTSDCTSB | |
| SCHEMBL1465053 | 0.81 | BACE1 (0.48) | PGRBACE1CTSDCTSB | |
| SCHEMBL28187 | 0.77 | HDAC3 (0.35) | — | |
| SCHEMBL12746141 | 0.67 | BACE1 (0.47) | PGRBACE1CTSDCTSB | |
| SCHEMBL1464483 | 0.64 | BACE1 (0.44) | PGRBACE1CTSDCTSB | |
| SCHEMBL1464484 | 0.64 | BACE1 (0.44) | PGRBACE1CTSDCTSB | |
| SCHEMBL28509648 | 0.58 | HDAC3 (0.55) | — | |
| SCHEMBL1465164 | 0.56 | HDAC3 (0.41) | — | |
| SCHEMBL28188 | 0.56 | HDAC3 (0.39) | — | |
| SCHEMBL23561634 | 0.55 | HDAC3 (0.45) | — |
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-2406240-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2012-01-18 | — | — | EP | disclosed |
| WO-2010105179-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-09-16 | — | — | WO | disclosed |