Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | CPA1 | P15085 | 1/20 | 0.33 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CTSL | P07711 | 1/20 | 0.30 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL6234993 | 0.82 | TP53 (0.35) | DPP4TP53 | |
| SCHEMBL28090209 | 0.75 | ALDH1A1 (0.45) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL198107 | 0.75 | TDP1 (0.33) | — | |
| SCHEMBL392365 | 0.75 | TDP1 (0.33) | — | |
| SCHEMBL10305239 | 0.75 | CHRM1 (0.43) | ALDH1A1MMEACECPA1ACE2 | |
| SCHEMBL197703 | 0.75 | TDP1 (0.33) | — | |
| SCHEMBL395419 | 0.75 | TDP1 (0.33) | — | |
| SCHEMBL1406003 | 0.74 | TP53 (0.38) | DPP4TP53 | |
| SCHEMBL16667373 | 0.74 | TP53 (0.38) | DPP4TP53 | |
| SCHEMBL1406004 | 0.74 | TP53 (0.38) | DPP4TP53 |
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 |