Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1827435 | 0.85 | BACE1 (0.40) | BACE1CTSDTP53KCNH2 | |
| SCHEMBL1827596 | 0.83 | BACE1 (0.37) | BACE1CTSDTP53 | |
| SCHEMBL1830168 | 0.74 | BACE1 (0.43) | BACE1CTSDTP53KCNH2 | |
| SCHEMBL1828991 | 0.73 | BACE1 (0.42) | BACE1CTSDTP53 | |
| SCHEMBL1828383 | 0.72 | BACE1 (0.39) | BACE1CTSDKCNH2 | |
| SCHEMBL3244223 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL1826421 | 0.67 | BACE1 (0.47) | BACE1CTSD | |
| SCHEMBL1831618 | 0.66 | BACE1 (0.39) | BACE1CTSD | |
| SCHEMBL3241071 | 0.65 | BACE1 (0.39) | BACE1CTSDTP53 | |
| SCHEMBL1829080 | 0.64 | BACE1 (0.39) | BACE1CTSD |
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-2324032-A2 | INHIBITORS OF BETA-SECRETASE | Vitae Pharmaceuticals, Inc. (US) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |