Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.68 |
| ▸ | APP | P05067 | 4/20 | 0.56 |
| ▸ | CTSS | P25774 | 3/20 | 0.55 |
| ▸ | CTSK | P43235 | 2/20 | 0.55 |
| ▸ | CTSL | P07711 | 1/20 | 0.55 |
| ▸ | CTSB | P07858 | 1/20 | 0.55 |
| ▸ | ACE | P12821 | 1/20 | 0.53 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.52 |
| ▸ | SYK | P43405 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.49 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28113259 | 1.00 | ATM (0.68) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL7239876 | 0.93 | ATM (0.67) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL6896458 | 0.93 | ATM (0.67) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL13770955 | 0.93 | ATM (0.67) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL1912659 | 0.92 | CTSS (0.60) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL1912579 | 0.92 | CTSS (0.60) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL489489 | 0.90 | ATM (0.70) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL1519945 | 0.90 | ATM (0.70) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL489490 | 0.90 | ATM (0.70) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL15928906 | 0.90 | ATM (0.62) | ATMAPPCTSSCTSKCTSL |
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-106163509-A | Beta-substituted beta-amino acids and analogs as chemotherapeutic agents | 夸德里加生物科学公司 | 2016-11-23 | — | — | CN | disclosed |