Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 13/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12666856 | 0.91 | S1PR1 (0.55) | S1PR1CYP2C9S1PR5S1PR3XDH | |
| SCHEMBL21300345 | 0.90 | S1PR1 (0.42) | S1PR1CYP2C9S1PR5S1PR3 | |
| SCHEMBL19507528 | 0.89 | S1PR1 (0.57) | S1PR1CYP2C9S1PR5S1PR3XDH | |
| SCHEMBL21300500 | 0.89 | S1PR1 (0.47) | S1PR1CYP2C9S1PR5S1PR3XDH | |
| SCHEMBL21300399 | 0.87 | S1PR1 (0.46) | S1PR1CYP2C9S1PR5S1PR3 | |
| SCHEMBL20058078 | 0.83 | S1PR1 (0.41) | S1PR1CYP2C9S1PR5S1PR3XDH | |
| SCHEMBL19507182 | 0.83 | S1PR1 (0.47) | S1PR1CYP2C9S1PR5S1PR3XDH | |
| SCHEMBL20057765 | 0.82 | S1PR1 (0.46) | S1PR1CYP2C9S1PR5S1PR3XDH | |
| SCHEMBL19507253 | 0.81 | S1PR1 (0.44) | S1PR1CYP2C9S1PR5S1PR3 | |
| SCHEMBL21300395 | 0.81 | S1PR1 (0.46) | S1PR1CYP2C9S1PR5S1PR3 |
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-2706999-B1 | SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | CELGENE INT II SARL (CH) | 2019-08-28 | — | — | EP | disclosed |
| EP-2498609-B1 | SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | CELGENE INT II SARL (CH) | 2018-04-18 | — | — | EP | disclosed |