Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL22872149 | 0.78 | LIPG (0.42) | TP53 | |
| SCHEMBL1823266 | 0.76 | LIPG (0.48) | TP53TDP1 | |
| SCHEMBL21364239 | 0.76 | LPL (0.40) | — | |
| SCHEMBL21320145 | 0.73 | L3MBTL1 (0.37) | — | |
| SCHEMBL25934922 | 0.73 | — | — | |
| SCHEMBL22571563 | 0.71 | LIPG (0.40) | — | |
| SCHEMBL27290161 | 0.71 | L3MBTL1 (0.35) | — | |
| SCHEMBL1827468 | 0.71 | LIPG (0.43) | TP53TDP1 | |
| SCHEMBL21467644 | 0.71 | P4HB (0.32) | — | |
| SCHEMBL27316082 | 0.70 | MEN1 (0.41) | TDP1 |
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-2010021680-A2 | INHIBITORS OF BETA-SECRETASE | VITAE PHARMACEUTICALS, INC. (US) | 2010-02-25 | — | — | WO | disclosed |