Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 14/20 | 0.40 |
| ▸ | CTSD | P07339 | 2/20 | 0.40 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | ALPL | P05186 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | ALPI | P09923 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ALPG | P10696 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1830168 | 0.89 | BACE1 (0.43) | BACE1CTSDBACE2KCNH2OPRM1 | |
| SCHEMBL1828991 | 0.87 | BACE1 (0.42) | BACE1CTSDBACE2OPRM1OPRD1 | |
| SCHEMBL1828383 | 0.87 | BACE1 (0.39) | BACE1CTSDBACE2KCNH2OPRM1 | |
| SCHEMBL1828675 | 0.85 | BACE1 (0.34) | BACE1CTSDKCNH2TP53 | |
| SCHEMBL1826421 | 0.82 | BACE1 (0.47) | BACE1CTSDBACE2OPRM1OPRD1 | |
| SCHEMBL1821336 | 0.77 | BACE1 (0.65) | BACE1CTSD | |
| SCHEMBL1827596 | 0.75 | BACE1 (0.37) | BACE1CTSDOPRM1OPRD1TP53 | |
| SCHEMBL1829335 | 0.74 | BACE1 (0.44) | BACE1CTSD | |
| SCHEMBL1832026 | 0.73 | BACE1 (0.45) | BACE1CTSDBACE2 | |
| SCHEMBL1986327 | 0.73 | BACE1 (0.49) | 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 |