Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 10/20 | 0.43 |
| ▸ | PPARG | P37231 | 9/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.41 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.41 |
| ▸ | ITGAV | P06756 | 1/20 | 0.41 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19720147 | 1.00 | PPARA (0.43) | PPARAPPARGCTSKCTSSACE | |
| SCHEMBL1055858 | 0.88 | ACE (0.49) | PPARAPPARGCTSKCTSSACE | |
| SCHEMBL1055857 | 0.88 | ACE (0.49) | PPARAPPARGCTSKCTSSACE | |
| SCHEMBL28102425 | 0.81 | CTSK (0.48) | PPARAPPARGCTSKCTSSACE | |
| SCHEMBL28834742 | 0.81 | CTSK (0.48) | PPARAPPARGCTSKCTSSACE | |
| SCHEMBL13316851 | 0.81 | CTSS (0.40) | PPARAPPARGCTSKCTSSACE | |
| SCHEMBL1056766 | 0.80 | KLK5 (0.45) | PPARAPPARGCTSKCTSSACE | |
| SCHEMBL1056763 | 0.80 | KLK5 (0.45) | PPARAPPARGCTSKCTSSACE | |
| SCHEMBL12600964 | 0.79 | ACE (0.42) | PPARAPPARGCTSKCTSSACE | |
| SCHEMBL16366761 | 0.78 | ACE (0.49) | PPARAPPARGCTSKCTSSACE |
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-102786476-B | compounds as opioid receptor modulators | 詹森药业有限公司 | 2017-01-18 | — | — | CN | disclosed |