Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 5/20 | 0.54 |
| ▸ | CTSS | P25774 | 3/20 | 0.53 |
| ▸ | CTSL | P07711 | 2/20 | 0.53 |
| ▸ | CTSB | P07858 | 2/20 | 0.53 |
| ▸ | CASP1 | P29466 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 3/20 | 0.52 |
| ▸ | PPARA | Q07869 | 2/20 | 0.52 |
| ▸ | PPARG | P37231 | 1/20 | 0.52 |
| ▸ | TACR1 | P25103 | 2/20 | 0.51 |
| ▸ | KYNU | Q16719 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL22783671 | 0.87 | PPARA (0.53) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL2749553 | 0.86 | PPARA (0.53) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL9686663 | 0.86 | CA12 (0.57) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL7349434 | 0.86 | CA12 (0.57) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL12226071 | 0.85 | MMP13 (0.51) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL3805426 | 0.84 | CA2 (0.55) | CTSKCTSSCTSLCTSB | |
| SCHEMBL457686 | 0.84 | PPARA (0.57) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL201710 | 0.84 | PPARA (0.57) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL295865 | 0.84 | PPARA (0.57) | CTSKCTSSCTSLCTSBCASP1 | |
| SCHEMBL4972916 | 0.84 | CTSK (0.52) | CTSKCTSSCTSLCTSBCASP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5696134-A | Irreversible HIV protease inhibitors, intermediates, compositions and processes for the preparation thereof | LG CHEMICAL LIMITED (KR) | 1997-12-09 | — | — | US | disclosed |
| EP-0687675-A2 | Irreversible HIV protease inhibitors, intermediates, compositions and processes for the preparation thereof | LG Chemical Limited (KR) | 1995-12-20 | — | — | EP | disclosed |