Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.45 |
| ▸ | S1PR3 | Q99500 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13974383 | 0.89 | S1PR1 (0.47) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL12176663 | 0.81 | S1PR1 (0.63) | S1PR1S1PR3 | |
| SCHEMBL12102768 | 0.80 | S1PR1 (0.59) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL12176644 | 0.79 | S1PR1 (0.58) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL12102734 | 0.78 | S1PR1 (0.59) | S1PR1S1PR3 | |
| SCHEMBL12175246 | 0.78 | S1PR1 (0.61) | S1PR1CYP2C9 | |
| SCHEMBL12102404 | 0.77 | S1PR1 (0.55) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL12176643 | 0.76 | S1PR1 (0.46) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL1293430 | 0.76 | S1PR1 (0.56) | S1PR1S1PR3 | |
| SCHEMBL2133210 | 0.74 | S1PR1 (1.00) | S1PR1CYP2C9 |
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-2012158550-A2 | SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | RECEPTOS, INC. (US) | 2012-11-22 | — | — | WO | disclosed |