Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.49 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.49 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2125146 | 0.91 | S1PR1 (0.54) | S1PR1S1PR3S1PR5KCNH2CYP3A4 | |
| SCHEMBL2122705 | 0.87 | S1PR1 (0.50) | S1PR1S1PR3S1PR5KCNH2CYP3A4 | |
| SCHEMBL2120841 | 0.85 | S1PR1 (0.53) | S1PR1S1PR3S1PR5KCNH2CYP3A4 | |
| SCHEMBL2128602 | 0.84 | S1PR1 (0.49) | S1PR1S1PR3S1PR5KCNH2CYP3A4 | |
| SCHEMBL10281704 | 0.84 | S1PR1 (0.47) | S1PR1S1PR3S1PR5KCNH2CYP3A4 | |
| SCHEMBL2122923 | 0.79 | S1PR1 (0.67) | S1PR1S1PR3S1PR5KCNH2CYP3A4 | |
| SCHEMBL13012566 | 0.79 | S1PR1 (0.56) | S1PR1S1PR3S1PR5KCNH2CYP3A4 | |
| SCHEMBL2602085 | 0.78 | S1PR1 (0.50) | S1PR1S1PR3S1PR5KCNH2CYP3A4 | |
| SCHEMBL2130329 | 0.78 | S1PR1 (0.55) | S1PR1S1PR3S1PR5KCNH2CYP3A4 | |
| SCHEMBL2124009 | 0.78 | S1PR1 (0.66) | S1PR1S1PR3S1PR5KCNH2CYP3A4 |
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-2443110-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | Glaxo Group Limited (GB) | 2012-04-25 | — | — | EP | disclosed |
| WO-2010146105-A1 | S1P1 AGONISTS COMPRISING A BICYCLIC N-CONTAINING RING | GLAXO GROUP LIMITED (GB) | 2010-12-23 | — | — | WO | disclosed |