Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.70 |
| ▸ | S1PR3 | Q99500 | 9/20 | 0.70 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.68 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL2123081 | 0.90 | S1PR1 (0.71) | S1PR1S1PR3KCNH2S1PR5CYP3A4 | |
| SCHEMBL2602109 | 0.89 | S1PR1 (0.77) | S1PR1S1PR3KCNH2S1PR5 | |
| SCHEMBL2124823 | 0.88 | S1PR1 (0.68) | S1PR1S1PR3KCNH2S1PR5CYP3A4 | |
| Trifluoroacetic Acid SCHEMBL2124819 | 0.86 | S1PR1 (0.72) | S1PR1S1PR3KCNH2S1PR5 | |
| SCHEMBL2130165 | 0.85 | S1PR1 (0.68) | S1PR1S1PR3KCNH2S1PR5CYP3A4 | |
| SCHEMBL2143165 | 0.85 | S1PR1 (0.70) | S1PR1S1PR3KCNH2S1PR5CYP3A4 | |
| Hydrochloric Acid SCHEMBL2133294 | 0.84 | S1PR1 (0.68) | S1PR1S1PR3KCNH2S1PR5CYP3A4 | |
| Hydrochloric Acid SCHEMBL2141240 | 0.84 | S1PR1 (0.69) | S1PR1S1PR3KCNH2S1PR5CYP3A4 | |
| SCHEMBL2122375 | 0.83 | S1PR1 (0.72) | S1PR1S1PR3KCNH2S1PR5CYP3A4 | |
| SCHEMBL2121378 | 0.83 | S1PR1 (0.72) | S1PR1S1PR3KCNH2S1PR5CYP3A4 |
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 |