Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
| ▸ | ITGAV | P06756 | 1/20 | 0.38 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6062021 | 0.87 | PPARG (0.46) | PPARGEPHX2ALOX5TRPV1ITGAV | |
| SCHEMBL7574787 | 0.77 | MEN1 (0.42) | EPHX2ALOX5GPR139ALDH1A1CTSL | |
| SCHEMBL6062670 | 0.74 | CTSB (0.41) | ITGAVALDH1A1HPGDCTSLCTSB | |
| SCHEMBL7656140 | 0.74 | ITGAV (0.48) | ITGAVALDH1A1HDAC1HPGDCTSL | |
| SCHEMBL6737505 | 0.74 | CTSL (0.42) | ITGAVCTSLCTSBCTSSCTSK | |
| SCHEMBL7658556 | 0.74 | CTSL (0.42) | ITGAVCTSLCTSBCTSSCTSK | |
| SCHEMBL6740960 | 0.72 | CTSL (0.51) | PPARGEPHX2TRPV1GPR139CTSL | |
| SCHEMBL6062015 | 0.72 | CTSL (0.62) | CTSLCTSBCTSSCTSK | |
| SCHEMBL6062019 | 0.72 | CTSL (0.62) | CTSLCTSBCTSSCTSK | |
| SCHEMBL6740637 | 0.72 | CTSL (0.46) | CTSLCTSBCTSSCTSK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1212302-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001019796-A1 | COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-03-22 | — | — | WO | disclosed |