Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 5/20 | 0.60 |
| ▸ | THRA | P10827 | 2/20 | 0.43 |
| ▸ | THRB | P10828 | 2/20 | 0.43 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 5/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13664785 | 0.94 | S1PR1 (0.64) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL2464915 | 0.94 | S1PR1 (0.64) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL4153787 | 0.93 | S1PR1 (0.62) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL13665311 | 0.89 | S1PR1 (0.54) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL2463699 | 0.88 | S1PR1 (0.65) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL2466094 | 0.88 | S1PR1 (0.65) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL2463703 | 0.88 | S1PR1 (0.65) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL13664842 | 0.88 | S1PR1 (0.49) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL13851953 | 0.86 | S1PR1 (0.52) | S1PR1THRATHRBS1PR4S1PR5 | |
| SCHEMBL81403 | 0.85 | S1PR1 (0.51) | S1PR1THRATHRBS1PR4S1PR5 |
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 |