Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 7/20 | 0.36 |
| ▸ | CTSK | P43235 | 6/20 | 0.36 |
| ▸ | ACE | P12821 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 2/20 | 0.35 |
| ▸ | CTSL | P07711 | 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 | |
|---|---|---|---|---|
| SCHEMBL28519718 | 1.00 | ATM (0.41) | ATMCYP2D6ABCB1KLK5AAK1 | |
| SCHEMBL18428052 | 0.91 | ATM (0.43) | ATMKLK5AAK1APPCTSS | |
| SCHEMBL28907824 | 0.86 | ATM (0.40) | ATMCYP2D6ABCB1KLK5AAK1 | |
| SCHEMBL18472397 | 0.85 | MME (0.32) | AAK1 | |
| SCHEMBL16970661 | 0.83 | ATM (0.38) | ATMCYP2D6ABCB1KLK5CTSS | |
| SCHEMBL28448719 | 0.81 | ATM (0.39) | ATMKLK5AAK1APPCTSS | |
| SCHEMBL28521367 | 0.81 | ATM (0.36) | ATMCYP2D6ABCB1KLK5AAK1 | |
| SCHEMBL21061549 | 0.80 | AAK1 (0.49) | ATMKLK5AAK1CTSSCTSK | |
| SCHEMBL21061580 | 0.80 | CTSS (0.40) | ATMKLK5AAK1CTSSCTSK | |
| SCHEMBL30434971 | 0.80 | AAK1 (0.49) | ATMKLK5AAK1CTSSCTSK |
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 |