Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 6/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CCR9 | P51686 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | CDC42 | P60953 | 1/20 | 0.33 |
| ▸ | RAC1 | P63000 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5152789 | 0.89 | AKR1C3 (0.41) | AKR1C3AKR1C2PTGS1KDM4ECYP1A2 | |
| SCHEMBL219278 | 0.84 | AKR1C3 (0.41) | AKR1C3AKR1C2PTGS1KDM4ECYP1A2 | |
| SCHEMBL5151705 | 0.83 | PTGS2 (0.39) | AKR1C3AKR1C2PTGS1KDM4ECYP1A2 | |
| SCHEMBL5151986 | 0.79 | PTGS2 (0.39) | AKR1C3AKR1C2PTGS1KDM4ECYP1A2 | |
| SCHEMBL217667 | 0.78 | AKR1C3 (0.43) | AKR1C3AKR1C2PTGS1KDM4ECYP1A2 | |
| SCHEMBL220111 | 0.77 | PPARG (0.40) | AKR1C3AKR1C2PTGS1KDM4ECYP1A2 | |
| SCHEMBL220266 | 0.76 | AKR1C3 (0.47) | AKR1C3AKR1C2PTGS1KDM4ECYP1A2 | |
| SCHEMBL218396 | 0.76 | PPARG (0.41) | AKR1C3AKR1C2PTGS1KDM4ECYP1A2 | |
| SCHEMBL221552 | 0.75 | PPARA (0.45) | AKR1C3AKR1C2PTGS1KDM4ECYP1A2 | |
| SCHEMBL5152769 | 0.75 | PTGS2 (0.37) | AKR1C3AKR1C2PTGS1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7163958-B2 | Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use | NITROMED INC. (US) | 2007-01-16 | — | — | US | disclosed |