Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 8/20 | 0.43 |
| ▸ | PPARA | Q07869 | 8/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
| ▸ | CTSS | P25774 | 9/20 | 0.39 |
| ▸ | CTSK | P43235 | 7/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2820285 | 0.80 | PPARA (0.65) | PPARGPPARAPPARDCTSSALDH1A1 | |
| SCHEMBL1272746 | 0.80 | PPARA (0.65) | PPARGPPARAPPARDCTSSALDH1A1 | |
| SCHEMBL1272414 | 0.79 | PPARG (0.52) | PPARGPPARAPPARDALDH1A1CYP1A2 | |
| SCHEMBL2818398 | 0.78 | CTSL (0.56) | PPARGPPARAPPARDCTSSCTSK | |
| SCHEMBL2818402 | 0.78 | CTSL (0.56) | PPARGPPARAPPARDCTSSCTSK | |
| SCHEMBL6048161 | 0.74 | CTSS (0.46) | CTSSCTSKCTSLCTSB | |
| SCHEMBL6660147 | 0.74 | CTSS (0.47) | CTSSCTSKCTSLCTSB | |
| SCHEMBL16834504 | 0.72 | PPARG (0.45) | PPARGPPARAPPARDCTSKALDH1A1 | |
| SCHEMBL7341664 | 0.71 | ACE (0.54) | PPARGPPARAPPARDCTSSCTSK | |
| SCHEMBL7341673 | 0.71 | ACE (0.54) | PPARGPPARAPPARDCTSSCTSK |
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-1663958-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005028429-A2 | HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |