Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 16/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.35 |
| ▸ | RORC | P51449 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21300395 | 0.88 | S1PR1 (0.46) | S1PR1CYP2C9S1PR3S1PR5HSD17B1 | |
| SCHEMBL19507973 | 0.86 | S1PR1 (0.54) | S1PR1S1PR3 | |
| SCHEMBL20058078 | 0.86 | S1PR1 (0.41) | S1PR1CYP2C9S1PR3S1PR5HSD17B1 | |
| SCHEMBL20057978 | 0.83 | S1PR1 (0.38) | S1PR1CYP2C9S1PR3S1PR5HSD17B1 | |
| SCHEMBL12666856 | 0.83 | S1PR1 (0.55) | S1PR1CYP2C9S1PR3S1PR5 | |
| SCHEMBL21300500 | 0.83 | S1PR1 (0.47) | S1PR1CYP2C9S1PR3S1PR5 | |
| SCHEMBL21300399 | 0.82 | S1PR1 (0.46) | S1PR1CYP2C9S1PR3S1PR5 | |
| SCHEMBL20058145 | 0.81 | S1PR1 (0.51) | S1PR1CYP2C9S1PR3S1PR5 | |
| SCHEMBL19507528 | 0.81 | S1PR1 (0.57) | S1PR1CYP2C9S1PR3S1PR5 | |
| SCHEMBL21300525 | 0.78 | HSD17B1 (0.44) | S1PR1CYP2C9S1PR5HSD17B1HSD17B2 |
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-2498609-B1 | SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | CELGENE INT II SARL (CH) | 2018-04-18 | — | — | EP | disclosed |
| WO-2012158550-A9 | SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | RECEPTOS, INC. (US) | 2017-10-26 | — | — | WO | disclosed |