Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 15/20 | 0.65 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CD274 | Q9NZQ7 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2449635 | 0.96 | S1PR1 (0.60) | S1PR1S1PR3CYP2D6CD274ALDH1A1 | |
| SCHEMBL2475133 | 0.96 | S1PR1 (0.66) | S1PR1S1PR3CYP2D6CD274 | |
| SCHEMBL2411301 | 0.93 | S1PR1 (0.73) | S1PR1S1PR3CYP2D6 | |
| SCHEMBL14481927 | 0.93 | S1PR1 (0.66) | S1PR1S1PR3CYP2D6CD274 | |
| SCHEMBL2412762 | 0.93 | S1PR1 (0.66) | S1PR1S1PR3CYP2D6CD274 | |
| SCHEMBL2449636 | 0.89 | S1PR1 (0.53) | S1PR1S1PR3CYP2D6CD274ALDH1A1 | |
| SCHEMBL14482303 | 0.88 | S1PR1 (0.69) | S1PR1S1PR3CYP2D6 | |
| SCHEMBL2408965 | 0.87 | S1PR1 (0.74) | S1PR1S1PR3CYP2D6 | |
| SCHEMBL1293177 | 0.86 | S1PR1 (0.68) | S1PR1S1PR3CD274ALDH1A1 | |
| SCHEMBL1293006 | 0.86 | S1PR1 (0.68) | S1PR1S1PR3CD274ALDH1A1 |
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 |