Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 3/20 | 0.39 |
| ▸ | PDE4A | P27815 | 3/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13665597 | 0.84 | S1PR1 (0.55) | S1PR1PPARGPPARDPPARAMRGPRX4 | |
| SCHEMBL13665224 | 0.83 | FFAR1 (0.59) | S1PR1S1PR3S1PR5FFAR1FAAH | |
| SCHEMBL13664800 | 0.81 | S1PR1 (0.50) | S1PR1PPARGPPARDPPARAMRGPRX4 | |
| SCHEMBL13664850 | 0.80 | S1PR1 (0.51) | S1PR1PPARGPPARDPPARAPDE4A | |
| SCHEMBL2952719 | 0.79 | PDE4A (0.57) | S1PR1PPARGPPARDPPARAMRGPRX4 | |
| SCHEMBL13664846 | 0.79 | S1PR1 (0.46) | S1PR1PPARGPPARDPPARAMRGPRX4 | |
| SCHEMBL86782 | 0.78 | S1PR1 (0.76) | S1PR1PPARGPPARDPPARAPDE4A | |
| SCHEMBL13665586 | 0.78 | FFAR1 (0.59) | S1PR1PPARGPPARDPPARAS1PR3 | |
| SCHEMBL2950691 | 0.78 | PDE4A (0.58) | S1PR1PPARGPPARDPPARAMRGPRX4 | |
| Hydrochloric Acid SCHEMBL78732 | 0.77 | S1PR1 (0.74) | S1PR1PPARGPPARDPPARAPDE4A |
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 |