Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 18/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 6/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | FNTA | P49354 | 1/20 | 0.37 |
| ▸ | FNTB | P49356 | 1/20 | 0.37 |
| ▸ | RET | P07949 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2124233 | 0.90 | S1PR1 (0.47) | S1PR1S1PR3KCNH2RET | |
| SCHEMBL2602093 | 0.90 | S1PR1 (0.48) | S1PR1S1PR3KCNH2 | |
| SCHEMBL2605713 | 0.90 | FNTA (0.38) | S1PR1S1PR3FNTAFNTB | |
| SCHEMBL2605760 | 0.90 | S1PR1 (0.47) | S1PR1S1PR3KCNH2 | |
| SCHEMBL2602092 | 0.88 | S1PR1 (0.48) | S1PR1S1PR3KCNH2FNTAFNTB | |
| SCHEMBL2602094 | 0.88 | S1PR1 (0.49) | S1PR1S1PR3KCNH2FNTAFNTB | |
| SCHEMBL2124243 | 0.86 | S1PR1 (0.47) | S1PR1S1PR3KCNH2 | |
| Hydrochloric Acid SCHEMBL2123966 | 0.86 | S1PR1 (0.47) | S1PR1S1PR3KCNH2 | |
| SCHEMBL13012923 | 0.85 | S1PR1 (0.52) | S1PR1S1PR3KCNH2 | |
| SCHEMBL2123975 | 0.85 | S1PR1 (0.54) | S1PR1S1PR3KCNH2 |
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 |