Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 15/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.53 |
| ▸ | XDH | P47989 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2133116 | 0.90 | S1PR1 (0.52) | S1PR1CYP2C9S1PR5XDHCYP2D6 | |
| SCHEMBL2133124 | 0.89 | S1PR1 (0.52) | S1PR1CYP2C9S1PR5XDHCYP2D6 | |
| SCHEMBL2133513 | 0.89 | S1PR1 (0.68) | S1PR1CYP2C9S1PR5CYP2D6S1PR3 | |
| SCHEMBL2733554 | 0.88 | S1PR1 (0.53) | S1PR1CYP2C9S1PR5XDHCYP2D6 | |
| SCHEMBL2721100 | 0.86 | S1PR1 (0.56) | S1PR1CYP2C9S1PR5XDHCYP2D6 | |
| SCHEMBL2137842 | 0.85 | S1PR1 (0.56) | S1PR1CYP2C9S1PR5XDHCYP2D6 | |
| SCHEMBL2719537 | 0.84 | S1PR1 (0.58) | S1PR1CYP2C9S1PR5XDHCYP2D6 | |
| SCHEMBL2135084 | 0.84 | S1PR1 (0.53) | S1PR1CYP2C9S1PR5XDHCYP2D6 | |
| SCHEMBL2133114 | 0.82 | S1PR1 (0.52) | S1PR1CYP2C9S1PR5XDHCYP2D6 | |
| SCHEMBL2733932 | 0.82 | S1PR1 (0.61) | S1PR1CYP2C9S1PR5CYP2D6 |
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-2445892-A1 | 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS | Glaxo Group Limited (GB) | 2012-05-02 | — | — | EP | disclosed |
| WO-2010148650-A1 | 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2010-12-29 | — | — | WO | disclosed |