Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.58 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL2409296 | 0.85 | S1PR1 (0.77) | S1PR1CYP2D6S1PR3CYP2C9 | |
| SCHEMBL14552812 | 0.84 | S1PR1 (0.63) | S1PR1CYP2D6S1PR3CYP2C9 | |
| SCHEMBL2444100 | 0.84 | S1PR1 (0.60) | S1PR1CYP2D6S1PR3CYP2C9 | |
| SCHEMBL2413787 | 0.83 | S1PR1 (0.67) | S1PR1CYP2D6CYP2C9 | |
| SCHEMBL14481878 | 0.83 | S1PR1 (0.64) | S1PR1CYP2D6S1PR3CYP2C9 | |
| SCHEMBL2476373 | 0.82 | S1PR1 (0.60) | S1PR1CYP2D6S1PR3CYP2C9 | |
| SCHEMBL2408389 | 0.80 | S1PR1 (0.60) | S1PR1CYP2D6S1PR3CYP2C9 | |
| SCHEMBL2412212 | 0.80 | S1PR1 (0.58) | S1PR1CYP2D6S1PR3CYP2C9 | |
| Sarcosine SCHEMBL2412536 | 0.80 | S1PR1 (0.56) | S1PR1CYP2D6S1PR3CYP2C9 | |
| SCHEMBL2408148 | 0.79 | S1PR1 (0.51) | S1PR1CYP2D6S1PR3CYP2C9 |
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-2547662-A1 | PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | Glaxo Group Limited (GB) | 2013-01-23 | — | — | EP | disclosed |
| WO-2011113309-A1 | PYRIMIDINE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2011-09-22 | — | — | WO | disclosed |