Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 5/20 | 0.63 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | THRA | P10827 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | RAD52 | P43351 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.39 |
| ▸ | APAF1 | O14727 | 2/20 | 0.38 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12337602 | 0.90 | S1PR1 (0.71) | S1PR1THRBTHRAHTTMAPT | |
| SCHEMBL13851992 | 0.84 | S1PR1 (0.71) | S1PR1THRBTHRAHTTMAPT | |
| SCHEMBL10280847 | 0.82 | S1PR1 (0.59) | S1PR1THRBTHRAHTTMAPT | |
| SCHEMBL93042 | 0.81 | S1PR1 (0.57) | S1PR1THRBTHRASMN1; SMN2GLA | |
| SCHEMBL2467024 | 0.80 | S1PR1 (0.62) | S1PR1THRBTHRAMAPTMEN1 | |
| SCHEMBL2468704 | 0.80 | S1PR1 (0.70) | S1PR1THRBTHRAS1PR4S1PR5 | |
| SCHEMBL13665319 | 0.80 | S1PR1 (0.66) | S1PR1THRBTHRASMN1; SMN2S1PR4 | |
| SCHEMBL24780584 | 0.80 | S1PR1 (0.55) | S1PR1PPARGPPARA | |
| SCHEMBL13664850 | 0.80 | S1PR1 (0.51) | S1PR1THRBTHRAHTTMEN1 | |
| SCHEMBL13851995 | 0.80 | S1PR1 (0.65) | S1PR1THRBTHRAS1PR4S1PR5 |
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 |