Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 8/20 | 0.52 |
| ▸ | CTSS | P25774 | 7/20 | 0.52 |
| ▸ | CTSB | P07858 | 2/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 5/20 | 0.48 |
| ▸ | PPARG | P37231 | 4/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | ACE | P12821 | 1/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | PPARD | Q03181 | 2/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | HDAC9 | Q9UKV0 | 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 | |
|---|---|---|---|---|
| SCHEMBL69002 | 0.85 | CA1 (0.55) | CTSKCTSSCTSBCTSL | |
| SCHEMBL57872 | 0.85 | CA1 (0.55) | CTSKCTSSCTSBCTSL | |
| SCHEMBL57084 | 0.85 | CA1 (0.55) | CTSKCTSSCTSBCTSL | |
| SCHEMBL30070677 | 0.85 | CA1 (0.55) | CTSKCTSSCTSBCTSL | |
| SCHEMBL14884499 | 0.84 | CTSS (0.65) | CTSKCTSSCTSBCTSLPPARA | |
| SCHEMBL14831426 | 0.81 | CTSK (0.52) | CTSKCTSSCTSBCTSLPPARA | |
| SCHEMBL14831425 | 0.81 | CTSK (0.52) | CTSKCTSSCTSBCTSLPPARA | |
| SCHEMBL19661441 | 0.80 | CTSK (0.54) | CTSKCTSSCTSBCTSLPPARA | |
| SCHEMBL3676162 | 0.80 | NPC1 (0.63) | CTSKCTSSCTSBCTSLPPARA | |
| SCHEMBL12203694 | 0.80 | NPC1 (0.63) | CTSKCTSSCTSBCTSLPPARA |
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 |
|---|---|---|---|---|---|---|---|
| CN-111748590-B | Application of aminotransferase in preparation of Sacubitril intermediate | 弈柯莱(台州)药业有限公司 | 2024-05-28 | — | — | CN | disclosed |