Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.60 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1293287 | 0.88 | S1PR1 (0.67) | S1PR1S1PR3CYP2C9 | |
| SCHEMBL1293177 | 0.87 | S1PR1 (0.68) | S1PR1S1PR3CYP2C9 | |
| SCHEMBL1293006 | 0.87 | S1PR1 (0.68) | S1PR1S1PR3CYP2C9 | |
| SCHEMBL1293335 | 0.87 | S1PR1 (0.77) | S1PR1S1PR3CYP2C9 | |
| SCHEMBL1293352 | 0.85 | S1PR1 (0.58) | S1PR1S1PR3CYP2C9 | |
| SCHEMBL12102741 | 0.85 | S1PR1 (0.56) | S1PR1S1PR3CYP2C9 | |
| SCHEMBL1293178 | 0.85 | S1PR1 (0.70) | S1PR1S1PR3CYP2C9 | |
| SCHEMBL1293331 | 0.85 | S1PR1 (0.70) | S1PR1S1PR3CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL1293160 | 0.84 | S1PR1 (0.62) | S1PR1S1PR3CYP2C9 | |
| SCHEMBL1293104 | 0.84 | S1PR1 (0.66) | S1PR1S1PR3CYP2C9 |
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-2563785-A1 | COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS | Glaxo Group Limited (GB) | 2013-03-06 | — | — | EP | disclosed |
| WO-2011134280-A1 | COMPOUNDS AS AGONISTS OF S1P1 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2011-11-03 | — | — | WO | disclosed |