Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL5152769 | 0.91 | PTGS2 (0.37) | PTGS2PTGS1AKR1C3AKR1C2KDM4E | |
| SCHEMBL219247 | 0.89 | PPARG (0.36) | PTGS2PTGS1AKR1C3AKR1C2KDM4E | |
| SCHEMBL220495 | 0.85 | PPARA (0.41) | PTGS1AKR1C3AKR1C2KDM4ESMN1; SMN2 | |
| SCHEMBL220497 | 0.85 | PPARA (0.41) | PTGS1AKR1C3AKR1C2KDM4ESMN1; SMN2 | |
| SCHEMBL5152789 | 0.84 | AKR1C3 (0.41) | PTGS2PTGS1AKR1C3AKR1C2KDM4E | |
| SCHEMBL220332 | 0.83 | PPARG (0.37) | PTGS2KDM4EPOLB | |
| SCHEMBL1396028 | 0.83 | KDM4E (0.40) | PTGS2PTGS1AKR1C3AKR1C2KDM4E | |
| SCHEMBL27816060 | 0.83 | KDM4E (0.40) | PTGS2PTGS1AKR1C3AKR1C2KDM4E | |
| SCHEMBL218530 | 0.82 | PTGS1 (0.34) | PTGS1AKR1C3AKR1C2KDM4EALDH1A1 | |
| SCHEMBL5149460 | 0.82 | PTGS1 (0.44) | PTGS2PTGS1KDM4EALDH1A1HSD17B10 |
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 |