Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRA | P10827 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.44 |
| ▸ | PDE4A | P27815 | 4/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.40 |
| ▸ | SPHK2 | Q9NRA0 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15492780 | 0.80 | PDE4A (0.47) | THRATHRBPDE4APDE4BPDE4C | |
| SCHEMBL7003587 | 0.80 | PDE4A (0.47) | THRATHRBPDE4APDE4BPDE4C | |
| SCHEMBL7005602 | 0.79 | PDE4A (0.48) | THRATHRBPDE4APDE4BPDE4C | |
| SCHEMBL14045898 | 0.74 | PDE4A (0.71) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7005119 | 0.73 | CRBN (0.55) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL7004191 | 0.73 | CRBN (0.55) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3714736 | 0.72 | ESR2 (0.42) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3716599 | 0.72 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DPDE3B | |
| SCHEMBL3714735 | 0.72 | ESR2 (0.42) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3716603 | 0.72 | PDE4A (0.41) | PDE4APDE4BPDE4CPDE4DPDE3B |
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 |