Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 2/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13665327 | 0.96 | S1PR1 (0.48) | S1PR1PPARGPPARDPPARARXRA | |
| SCHEMBL13665597 | 0.83 | S1PR1 (0.55) | S1PR1PPARGPPARDPPARAPDE4A | |
| SCHEMBL13664849 | 0.81 | S1PR1 (0.43) | S1PR1PPARGPPARDPPARAPDE4A | |
| SCHEMBL13664847 | 0.81 | S1PR1 (0.43) | S1PR1PPARGPPARDPPARAPDE4A | |
| SCHEMBL13664846 | 0.80 | S1PR1 (0.46) | S1PR1PPARGPPARDPPARAPDE4A | |
| SCHEMBL13665224 | 0.80 | FFAR1 (0.59) | S1PR1 | |
| SCHEMBL13664801 | 0.80 | S1PR1 (0.47) | S1PR1PPARGPPARDPPARAPDE4A | |
| SCHEMBL13665201 | 0.80 | S1PR1 (0.63) | S1PR1PPARGPPARDPPARATHRA | |
| SCHEMBL13665591 | 0.79 | PPARG (0.44) | S1PR1PPARGPPARDPPARAPDE4A | |
| SCHEMBL12337602 | 0.79 | S1PR1 (0.71) | S1PR1RXRARXRBRXRGTHRA |
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 |