Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.65 |
| ▸ | S1PR3 | Q99500 | 7/20 | 0.55 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.46 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2168613 | 0.81 | S1PR1 (0.84) | S1PR1S1PR3S1PR5 | |
| SCHEMBL2417428 | 0.79 | S1PR1 (1.00) | S1PR1S1PR3S1PR5 | |
| SCHEMBL2181741 | 0.78 | S1PR1 (0.79) | S1PR1S1PR3S1PR5S1PR4CYP2C9 | |
| SCHEMBL2179933 | 0.78 | S1PR1 (0.79) | S1PR1S1PR3S1PR5S1PR4CYP2C9 | |
| SCHEMBL2420104 | 0.77 | S1PR1 (1.00) | S1PR1S1PR3S1PR5S1PR4CYP2C9 | |
| Trifluoroacetic Acid SCHEMBL1870072 | 0.75 | S1PR1 (0.61) | S1PR1S1PR3S1PR5S1PR4CYP2C9 | |
| SCHEMBL2484873 | 0.74 | S1PR1 (0.88) | S1PR1S1PR3S1PR5 | |
| SCHEMBL2169176 | 0.74 | S1PR1 (0.73) | S1PR1S1PR3 | |
| SCHEMBL2994820 | 0.74 | S1PR1 (0.75) | S1PR1S1PR3S1PR5CYP2C9 | |
| SCHEMBL16659635 | 0.73 | S1PR1 (0.90) | S1PR1S1PR3S1PR5S1PR4CYP2C9 |
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-2010069949-A1 | OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS | MERCK SERONO S.A. (CH) | 2010-06-24 | — | — | WO | disclosed |