Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8893092 | 1.00 | IRAK4 (0.36) | IRAK4CNR2CNR1ALDH1A1ALOX5 | |
| SCHEMBL4839728 | 0.85 | IRAK4 (0.36) | IRAK4ALDH1A1ALOX5PPARG | |
| SCHEMBL4839737 | 0.85 | IRAK4 (0.36) | IRAK4ALDH1A1ALOX5PPARG | |
| SCHEMBL8892818 | 0.83 | IRAK4 (0.42) | IRAK4CNR2CNR1ALDH1A1NFKB1 | |
| SCHEMBL8891780 | 0.83 | IRAK4 (0.42) | IRAK4CNR2CNR1ALDH1A1NFKB1 | |
| SCHEMBL17441067 | 0.78 | IRAK4 (0.36) | IRAK4ALDH1A1ALOX5TSHRHPGD | |
| SCHEMBL17440806 | 0.73 | IRAK4 (0.38) | IRAK4ALDH1A1 | |
| SCHEMBL24012874 | 0.72 | IRAK4 (0.39) | IRAK4ALDH1A1TSHRMAPTHPGD | |
| SCHEMBL24012872 | 0.72 | IRAK4 (0.39) | IRAK4ALDH1A1TSHRMAPTHPGD | |
| SCHEMBL9146179 | 0.72 | HPGD (0.45) | CNR2CNR1ALDH1A1TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997037976-A1 | NEW LEUKOTRIENE-B4 DERIVATIVES, THEIR PREPARATION PROCESS AND THEIR USE AS MEDICAMENTS | SCHERING AKTIENGESELLSHAFT (DE) | 1997-10-16 | — | — | WO | disclosed |