Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.35 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL536178 | 0.93 | S1PR1 (0.39) | S1PR1MAPTHTTHIF1AL3MBTL1 | |
| SCHEMBL3466223 | 0.86 | S1PR1 (0.37) | S1PR1MAPTHTTHIF1AL3MBTL1 | |
| SCHEMBL406995 | 0.85 | S1PR1 (0.49) | S1PR1MAPTHTTHIF1AL3MBTL1 | |
| SCHEMBL536674 | 0.84 | S1PR1 (0.39) | S1PR1MAPTHIF1AL3MBTL1NR1I2 | |
| SCHEMBL409177 | 0.75 | ALDH1A1 (0.51) | S1PR1POLB | |
| SCHEMBL319590 | 0.74 | S1PR1 (0.52) | S1PR1S1PR3POLBFFAR1 | |
| SCHEMBL2482448 | 0.73 | S1PR1 (0.35) | S1PR1NR3C2 | |
| SCHEMBL408083 | 0.73 | GFER (0.46) | S1PR1L3MBTL1POLBNR3C2HPGD | |
| SCHEMBL536094 | 0.71 | PRKG1 (0.38) | HTTNR1I2SMARCA2SMARCA4NR1H2 | |
| SCHEMBL410352 | 0.70 | GFER (0.42) | L3MBTL1POLBHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2414342-A1 | OXADIAZOLE DERIVATIVES | Merck Serono S.A. (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010112461-A1 | OXADIAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2010-10-07 | — | — | WO | disclosed |