Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 20/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | S1PR3 | Q99500 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12102460 | 0.83 | S1PR1 (0.61) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL12102455 | 0.81 | S1PR1 (0.55) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL12102464 | 0.80 | S1PR1 (0.60) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL12102466 | 0.79 | S1PR1 (0.51) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL12102695 | 0.74 | S1PR1 (0.84) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL12102698 | 0.73 | S1PR1 (0.85) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL10268171 | 0.72 | S1PR1 (0.79) | S1PR1CYP2C9 | |
| SCHEMBL3421586 | 0.72 | S1PR1 (0.64) | S1PR1CYP2C9S1PR3 | |
| SCHEMBL2135643 | 0.72 | S1PR1 (0.84) | S1PR1CYP2C9 | |
| SCHEMBL12102724 | 0.72 | S1PR1 (0.82) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012158550-A9 | SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | RECEPTOS, INC. (US) | 2017-10-26 | — | — | WO | disclosed |
| WO-2012158550-A2 | SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | RECEPTOS, INC. (US) | 2012-11-22 | — | — | WO | disclosed |