Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 19/20 | 0.50 |
| ▸ | S1PR3 | Q99500 | 8/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL4442277 | 0.85 | S1PR1 (0.55) | S1PR1S1PR3KCNH2MAOB | |
| SCHEMBL1602257 | 0.83 | S1PR1 (0.72) | S1PR1S1PR3KCNH2 | |
| SCHEMBL4446872 | 0.79 | S1PR1 (0.68) | S1PR1S1PR3KCNH2 | |
| SCHEMBL1602323 | 0.78 | S1PR1 (0.59) | S1PR1S1PR3KCNH2 | |
| SCHEMBL4440661 | 0.77 | S1PR1 (0.49) | S1PR1S1PR3KCNH2MAOB | |
| SCHEMBL1602824 | 0.76 | S1PR1 (0.70) | S1PR1S1PR3KCNH2MAOB | |
| SCHEMBL4564250 | 0.74 | S1PR1 (0.58) | S1PR1S1PR3KCNH2MAOB | |
| SCHEMBL2412538 | 0.73 | S1PR1 (0.66) | S1PR1S1PR3KCNH2MAOB | |
| SCHEMBL3696705 | 0.73 | S1PR1 (0.51) | S1PR1S1PR3KCNH2MAOB | |
| SCHEMBL4449550 | 0.72 | S1PR1 (0.60) | 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 |