Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 3/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13664847 | 1.00 | S1PR1 (0.43) | S1PR1ALOX5AKR1C3PPARGPPARD | |
| SCHEMBL13664794 | 0.96 | ALOX5 (0.43) | S1PR1ALOX5AKR1C3PPARGPPARD | |
| SCHEMBL13664795 | 0.96 | ALOX5 (0.43) | S1PR1ALOX5AKR1C3PPARGPPARD | |
| SCHEMBL13664850 | 0.81 | S1PR1 (0.51) | S1PR1PPARGPPARDPPARATHRA | |
| SCHEMBL13665425 | 0.78 | S1PR1 (0.46) | S1PR1ALDH1A1MAPTMAPK1L3MBTL1 | |
| SCHEMBL13665327 | 0.77 | S1PR1 (0.48) | S1PR1PPARGPPARDPPARARXRA | |
| SCHEMBL13664846 | 0.75 | S1PR1 (0.46) | S1PR1PPARGPPARDPPARATHRA | |
| SCHEMBL13665591 | 0.74 | PPARG (0.44) | S1PR1PPARGPPARDPPARAMAPT | |
| SCHEMBL80370 | 0.72 | S1PR1 (0.43) | S1PR1ALOX5AKR1C3PPARGPPARD | |
| SCHEMBL80369 | 0.72 | S1PR1 (0.43) | S1PR1ALOX5AKR1C3PPARGPPARD |
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-2009119858-A1 | BENZENE COMPOUND, AND USE THEREOF FOR MEDICAL PURPOSES | 田辺三菱製薬株式会社 (JP) | 2009-10-01 | — | — | WO | disclosed |