Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 1/20 | 0.48 |
| ▸ | REN | P00797 | 5/20 | 0.47 |
| ▸ | BACE1 | P56817 | 3/20 | 0.45 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10535982 | 1.00 | CA1 (0.54) | CA1CA2CA7CYP2D6CTSL | |
| SCHEMBL11137675 | 1.00 | CA1 (0.54) | CA1CA2CA7CYP2D6CTSL | |
| SCHEMBL6519145 | 1.00 | CA1 (0.54) | CA1CA2CA7CYP2D6CTSL | |
| SCHEMBL5411977 | 1.00 | CA1 (0.54) | CA1CA2CA7CYP2D6CTSL | |
| SCHEMBL7828875 | 1.00 | CA1 (0.54) | CA1CA2CA7CYP2D6CTSL | |
| SCHEMBL10537924 | 0.87 | REN (0.57) | CA1CA2CA7CYP2D6REN | |
| SCHEMBL10977303 | 0.87 | CA1 (0.53) | CA1CA2CA7CYP2D6REN | |
| SCHEMBL764842 | 0.87 | REN (0.57) | CA1CA2CA7CYP2D6REN | |
| SCHEMBL8270788 | 0.86 | CA1 (0.49) | CA1CA2CA7CYP2D6CTSL | |
| SCHEMBL10573647 | 0.85 | CA1 (0.51) | CA1CA2CA7CYP2D6REN |
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 |
|---|---|---|---|---|---|---|---|
| US-4487963-A | Enantioselective synthesis of 4-amino-3-hydroxy-2,4-(disubstituted)pentanoic acid | MERCK & CO., INC. (US) | 1984-12-11 | — | — | US | disclosed |