Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 3/20 | 0.37 |
| ▸ | KLK6 | Q92876 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.35 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4691290 | 0.89 | PTGS1 (0.44) | PTGS2KLK6HTR1APKMPTGS1 | |
| SCHEMBL7761162 | 0.84 | PTGS2 (0.39) | PTGS2POLBHPGDTP53SMN1; SMN2 | |
| SCHEMBL998208 | 0.83 | AKR1C2 (0.46) | PTGS2PTGS1GLO1HIF1APOLB | |
| SCHEMBL5154201 | 0.83 | POLB (0.41) | PKMPOLBHPGDMAPTPTGDR | |
| SCHEMBL4695816 | 0.80 | PTGS2 (0.42) | PTGS2KLK6PTGS1POLBPRSS1 | |
| SCHEMBL5154300 | 0.79 | POLB (0.38) | PTGS2POLBHPGDMAPTPTGDR | |
| SCHEMBL18765238 | 0.79 | POLB (0.38) | PTGS2PTGS1POLBHPGDMAPT | |
| SCHEMBL4692036 | 0.79 | PTGS2 (0.34) | PTGS2KLK6HTR1APKMPTGS1 | |
| SCHEMBL5806535 | 0.79 | POLB (0.41) | PTGS1POLBHPGDMAPTLMNA | |
| SCHEMBL6589711 | 0.79 | MEN1 (0.37) | PTGS2PTGS1POLBHPGDTP53 |
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 |