Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.67 |
| ▸ | APP | P05067 | 4/20 | 0.55 |
| ▸ | CTSS | P25774 | 3/20 | 0.54 |
| ▸ | CTSK | P43235 | 2/20 | 0.54 |
| ▸ | CTSL | P07711 | 1/20 | 0.54 |
| ▸ | CTSB | P07858 | 1/20 | 0.54 |
| ▸ | ACE | P12821 | 1/20 | 0.52 |
| ▸ | SYK | P43405 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.48 |
| ▸ | AKT1 | P31749 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21501008 | 1.00 | ATM (0.67) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL271498 | 0.87 | ATM (0.64) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL273008 | 0.87 | ATM (0.64) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL271499 | 0.87 | ATM (0.64) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL15159951 | 0.86 | ATM (0.73) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL5667810 | 0.86 | ATM (0.66) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL5665896 | 0.86 | ATM (0.66) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL5665695 | 0.86 | ATM (0.66) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL273370 | 0.86 | ATM (0.62) | ATMAPPCTSSCTSKCTSL | |
| SCHEMBL21065976 | 0.85 | ATM (0.59) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112312902-B | Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids | 斯克里普斯研究学院 | 2022-02-18 | — | — | CN | disclosed |
| CN-112312902-A | Pd (II) -catalyzed enantioselective C-H arylation of free carboxylic acids | 斯克里普斯研究学院 | 2021-02-02 | — | — | CN | disclosed |
| WO-2019204477-A1 | PD(II)-CATALYZED ENANTIOSELECTIVE C-H ARYLATION OF FREE CARBOXYLIC ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2019-10-24 | — | — | WO | disclosed |