Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 14/20 | 0.76 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.48 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13417221 | 0.86 | S1PR1 (1.00) | S1PR1S1PR3ALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL4617232 | 0.86 | S1PR1 (0.78) | S1PR1S1PR3KDM4EMEN1ALDH1A1 | |
| SCHEMBL13417080 | 0.86 | S1PR1 (0.78) | S1PR1S1PR3KDM4EMEN1ALDH1A1 | |
| SCHEMBL27904561 | 0.86 | S1PR1 (0.70) | S1PR1S1PR3 | |
| SCHEMBL13417068 | 0.82 | S1PR1 (1.00) | S1PR1S1PR3KDM4EALDH1A1TP53 | |
| SCHEMBL3082641 | 0.81 | S1PR1 (0.73) | S1PR1S1PR3NR1H4NPC1RAB9A | |
| SCHEMBL4618138 | 0.81 | S1PR1 (0.70) | S1PR1S1PR3 | |
| SCHEMBL27904564 | 0.81 | S1PR1 (0.69) | S1PR1S1PR3 | |
| SCHEMBL13416533 | 0.81 | S1PR1 (0.69) | S1PR1S1PR3 | |
| SCHEMBL14926463 | 0.81 | S1PR1 (0.76) | S1PR1S1PR3 |
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-2091950-A1 | OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS | Glaxo Group Limited (GB) | 2009-08-26 | — | — | EP | claimed |
| WO-2008074820-A1 | OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2008-06-26 | — | — | WO | claimed |