Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 6/20 | 0.59 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.59 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.59 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | CDC42 | P60953 | 1/20 | 0.59 |
| ▸ | RAC1 | P63000 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL219682 | 0.92 | PTGS2 (0.68) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL554850 | 0.92 | PTGS2 (0.68) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL4694838 | 0.83 | TDP1 (0.56) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL16300323 | 0.80 | TDP1 (0.64) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL2604922 | 0.80 | TDP1 (0.64) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL217665 | 0.79 | TDP1 (0.60) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL10189505 | 0.79 | TDP1 (0.60) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL13063821 | 0.79 | TDP1 (0.71) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL506523 | 0.79 | TDP1 (0.71) | PTGS2AKR1C3AKR1C2PTGS1TSHR | |
| SCHEMBL3280876 | 0.79 | TDP1 (0.71) | PTGS2AKR1C3AKR1C2PTGS1TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1539729-A4 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2008-02-20 | — | — | EP | disclosed |
| EP-1539729-A2 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004004648-A2 | NITROSATED NONSTEROIDAL ANTIINFLAMMATORY COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-01-15 | — | — | WO | disclosed |