Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.42 |
| ▸ | S1PR5 | Q9H228 | 5/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3755317 | 0.93 | S1PR1 (0.48) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| SCHEMBL3752329 | 0.92 | S1PR1 (0.53) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| SCHEMBL13786427 | 0.86 | S1PR1 (0.49) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| SCHEMBL3750162 | 0.82 | S1PR1 (0.56) | S1PR1S1PR5S1PR3CYP2C9 | |
| SCHEMBL3758679 | 0.81 | S1PR1 (0.61) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| SCHEMBL3749885 | 0.81 | S1PR1 (0.49) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| SCHEMBL3757708 | 0.80 | S1PR1 (0.55) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| SCHEMBL3661119 | 0.79 | S1PR1 (0.56) | S1PR1S1PR5S1PR3CYP2C9 | |
| SCHEMBL13012428 | 0.78 | S1PR1 (0.54) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 | |
| SCHEMBL3658685 | 0.78 | S1PR1 (0.61) | S1PR1S1PR5S1PR3CYP3A4CYP2C9 |
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-2009080728-A1 | OXADIAZOLE DERIVATIVES ACTIVE ON SPHINGOSINE-1-PHOSPHATE (SIP) | GLAXO GROUP LIMITED (GB) | 2009-07-02 | — | — | WO | disclosed |