Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 7/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 4/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18427975 | 1.00 | AAK1 (0.50) | AAK1ATMSYKCTSSCTSK | |
| SCHEMBL28524725 | 0.91 | AAK1 (0.58) | AAK1ATMKLK5HDAC3HDAC4 | |
| SCHEMBL18428000 | 0.91 | AAK1 (0.58) | AAK1ATMKLK5HDAC3HDAC4 | |
| SCHEMBL18428059 | 0.83 | AAK1 (0.47) | AAK1 | |
| SCHEMBL18428103 | 0.82 | ATM (0.42) | AAK1ATMCTSSCTSKHDAC3 | |
| SCHEMBL28515403 | 0.82 | ATM (0.42) | AAK1ATMCTSSCTSKHDAC3 | |
| SCHEMBL23877853 | 0.82 | ATM (0.42) | AAK1ATMSYKCTSSCTSK | |
| SCHEMBL16974957 | 0.82 | ATM (0.42) | AAK1ATMSYKCTSSCTSK | |
| SCHEMBL16974958 | 0.82 | ATM (0.42) | AAK1ATMSYKCTSSCTSK | |
| SCHEMBL18428084 | 0.81 | F10 (0.49) | AAK1ATMSYKKLK5HDAC3 |
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-108026026-B | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents and uses thereof | 夸德里加生物科学公司 | 2021-02-09 | — | — | CN | disclosed |