Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 9/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 9/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CDC42 | P60953 | 1/20 | 0.45 |
| ▸ | RAC1 | P63000 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 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 | |
|---|---|---|---|---|
| SCHEMBL5152782 | 0.90 | AKR1C3 (0.48) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL219246 | 0.89 | AKR1C3 (0.47) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL220496 | 0.86 | AKR1C3 (0.55) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL5152798 | 0.85 | AKR1C3 (0.61) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL1396025 | 0.84 | AKR1C3 (0.57) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL220331 | 0.83 | AKR1C3 (0.45) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL218529 | 0.83 | AKR1C3 (0.51) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL5149490 | 0.82 | AKR1C3 (0.50) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL221124 | 0.81 | AKR1C3 (0.49) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL219090 | 0.81 | AKR1C3 (0.52) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 |
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 |