Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12600924 | 0.92 | S1PR1 (0.74) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL12600636 | 0.88 | S1PR1 (0.75) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL12601261 | 0.87 | S1PR1 (0.74) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL14039724 | 0.86 | S1PR1 (0.78) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL1979820 | 0.86 | S1PR1 (0.73) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL1982445 | 0.86 | S1PR1 (0.73) | S1PR1CYP2C9S1PR3 | |
| Lithium Ion SCHEMBL1982440 | 0.86 | S1PR1 (0.77) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL1980834 | 0.85 | S1PR1 (0.71) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL1398537 | 0.85 | S1PR1 (0.85) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL1398420 | 0.84 | S1PR1 (0.81) | S1PR1CYP2C9S1PR3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011072488-A1 | OXADIAZOLE SUBSTITUTED INDAZOLE DERIVATIVES FOR USE AS SPHINGOSINE 1-PHOSPHATE 1 (S1P1) RECEPTOR AGONISTS | GLAXO GROUP LIMITED (GB) | 2011-06-23 | — | — | WO | disclosed |