Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 13/20 | 0.57 |
| ▸ | CTSK | P43235 | 4/20 | 0.54 |
| ▸ | CTSL | P07711 | 3/20 | 0.54 |
| ▸ | CTSB | P07858 | 3/20 | 0.54 |
| ▸ | CTSS | P25774 | 3/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | KYNU | Q16719 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13724915 | 1.00 | CASP1 (0.57) | CASP1CTSKCTSLCTSBCTSS | |
| SCHEMBL12406443 | 0.89 | CTSK (0.56) | CTSKCTSLCTSBCTSSALDH1A1 | |
| SCHEMBL7220623 | 0.89 | CTSL (0.67) | CTSKCTSLCTSBCTSSALDH1A1 | |
| SCHEMBL3709555 | 0.89 | CTSK (0.55) | CTSKCTSLCTSBCTSSALDH1A1 | |
| SCHEMBL1709147 | 0.89 | CTSL (0.67) | CTSKCTSLCTSBCTSSALDH1A1 | |
| SCHEMBL629856 | 0.89 | CTSL (0.67) | CTSKCTSLCTSBCTSSALDH1A1 | |
| SCHEMBL7919838 | 0.89 | CTSK (0.55) | CTSKCTSLCTSBCTSSALDH1A1 | |
| SCHEMBL19017976 | 0.89 | CTSK (0.55) | CTSKCTSLCTSBCTSSALDH1A1 | |
| SCHEMBL1667005 | 0.88 | CTSK (0.52) | CTSKCTSLCTSBCTSSALDH1A1 | |
| SCHEMBL4961276 | 0.86 | CTSK (0.57) | CTSKCTSLCTSBCTSSALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012148246-A2 | A PREPARATION METHOD OF SITAGLIPTIN | DAEWOONG PHARMACEUTICAL CO., LTD. (KR) | 2012-11-01 | — | — | WO | disclosed |