Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | CTSS | P25774 | 5/20 | 0.47 |
| ▸ | CTSK | P43235 | 5/20 | 0.47 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29072436 | 1.00 | ACE (0.47) | ACECTSSCTSKSCN9ACTSL | |
| SCHEMBL30574994 | 1.00 | ACE (0.47) | ACECTSSCTSKSCN9ACTSL | |
| SCHEMBL29072459 | 1.00 | ACE (0.47) | ACECTSSCTSKSCN9ACTSL | |
| SCHEMBL30574984 | 1.00 | ACE (0.47) | ACECTSSCTSKSCN9ACTSL | |
| SCHEMBL2835963 | 0.90 | CTSS (0.50) | ACECTSSCTSKSCN9ACTSL | |
| SCHEMBL1711461 | 0.90 | CTSS (0.50) | ACECTSSCTSKSCN9ACTSL | |
| SCHEMBL31725712 | 0.90 | CTSS (0.50) | ACECTSSCTSKSCN9ACTSL | |
| SCHEMBL2835961 | 0.90 | CTSS (0.50) | ACECTSSCTSKSCN9ACTSL | |
| SCHEMBL2839747 | 0.88 | CTSK (0.48) | ACECTSSCTSKSCN9ACTSL | |
| SCHEMBL2839750 | 0.88 | CTSK (0.48) | ACECTSSCTSKSCN9ACTSL |
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-116768855-A | Aromatic amino acid compound, preparation method thereof, pharmaceutical composition and application | 中国药科大学 | 2023-09-19 | — | — | CN | disclosed |