Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 6/20 | 0.48 |
| ▸ | CTSS | P25774 | 5/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.41 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28128781 | 0.90 | ALDH1A1 (0.48) | CTSKCTSSMEN1NPC1GAA | |
| SCHEMBL21848424 | 0.87 | ALDH1A1 (0.49) | CTSKCTSSMEN1NPC1GAA | |
| SCHEMBL28128780 | 0.83 | PTPRB (0.45) | CTSKCTSSMEN1NPC1GAA | |
| SCHEMBL28129338 | 0.82 | MEN1 (0.48) | CTSKCTSSMEN1NPC1GAA | |
| SCHEMBL28840049 | 0.77 | ALDH1A1 (0.49) | CTSKCTSSMEN1NPC1GAA | |
| SCHEMBL21848520 | 0.75 | ALDH1A1 (0.51) | CTSKCTSSMEN1NPC1GAA | |
| SCHEMBL6129188 | 0.74 | CTSK (0.47) | CTSKCTSSMEN1KMT2ASCN9A | |
| SCHEMBL27571239 | 0.73 | CTSK (0.50) | CTSKCTSSMEN1KMT2ASCN9A | |
| SCHEMBL27571238 | 0.73 | CTSK (0.50) | CTSKCTSSMEN1KMT2ASCN9A | |
| SCHEMBL22042132 | 0.73 | CTSK (0.62) | CTSKCTSSACECTSBKLK5 |
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-106496114-B | A kind of preparation method of aromatic aza cycle compound | 中国科学技术大学 | 2019-11-22 | — | — | CN | disclosed |