Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.31 |
| ▸ | SLC7A5 | Q01650 | 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 | |
|---|---|---|---|---|
| SCHEMBL6234803 | 0.82 | CTSS (0.34) | TP53DPP4 | |
| SCHEMBL16667373 | 0.78 | TP53 (0.38) | TP53DPP4OR51E2 | |
| SCHEMBL199977 | 0.78 | TP53 (0.38) | TP53DPP4OR51E2 | |
| SCHEMBL1406004 | 0.78 | TP53 (0.38) | TP53DPP4OR51E2 | |
| SCHEMBL16667376 | 0.78 | TP53 (0.38) | TP53DPP4OR51E2 | |
| SCHEMBL1406003 | 0.78 | TP53 (0.38) | TP53DPP4OR51E2 | |
| SCHEMBL12778560 | 0.74 | — | — | |
| SCHEMBL5482009 | 0.74 | — | — | |
| SCHEMBL12779100 | 0.74 | — | — | |
| SCHEMBL8969821 | 0.73 | DPP4 (0.33) | DPP4OR51E2 |
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-2005005375-A1 | METHOD FOR PRODUCING 4-CYANO-3-HYDROXYBUTYRIC ACID ESTERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-01-20 | — | — | WO | disclosed |