Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 18/20 | 0.71 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.71 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.71 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4446551 | 0.97 | S1PR1 (0.69) | S1PR1S1PR3KCNH2MAOBS1PR5 | |
| SCHEMBL12317697 | 0.93 | S1PR1 (0.83) | S1PR1S1PR3KCNH2 | |
| SCHEMBL4443009 | 0.91 | S1PR1 (0.85) | S1PR1S1PR3KCNH2S1PR5 | |
| SCHEMBL1601709 | 0.88 | S1PR1 (0.64) | S1PR1S1PR3KCNH2MAOB | |
| SCHEMBL2408522 | 0.88 | S1PR1 (0.67) | S1PR1S1PR3KCNH2MAOB | |
| SCHEMBL4440616 | 0.87 | S1PR1 (0.82) | S1PR1S1PR3KCNH2S1PR5 | |
| SCHEMBL1602436 | 0.86 | S1PR1 (0.70) | S1PR1S1PR3KCNH2 | |
| SCHEMBL1601048 | 0.86 | S1PR1 (0.62) | S1PR1S1PR3KCNH2 | |
| SCHEMBL12269470 | 0.86 | S1PR1 (0.62) | S1PR1S1PR3KCNH2MAOB | |
| SCHEMBL1603586 | 0.86 | S1PR1 (0.62) | S1PR1S1PR3KCNH2MAOB |
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-2121648-A2 | S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2007109334-A2 | SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX DELAWARE, INC. (US) | 2007-09-27 | — | — | WO | disclosed |