Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 5/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.32 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 1/20 | 0.32 |
| ▸ | XDH | P47989 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20057978 | 0.88 | S1PR1 (0.38) | S1PR1S1PR5CYP2C9HSD17B1HSD17B2 | |
| SCHEMBL21300399 | 0.88 | S1PR1 (0.46) | S1PR1S1PR5CYP2C9S1PR3 | |
| SCHEMBL21300525 | 0.88 | HSD17B1 (0.44) | S1PR1S1PR5CYP2C9HSD17B1HSD17B2 | |
| SCHEMBL19507253 | 0.86 | S1PR1 (0.44) | S1PR1S1PR5CYP2C9HSD17B1HSD17B2 | |
| SCHEMBL21300500 | 0.86 | S1PR1 (0.47) | S1PR1S1PR5CYP2C9S1PR3XDH | |
| SCHEMBL12666856 | 0.86 | S1PR1 (0.55) | S1PR1S1PR5CYP2C9S1PR3XDH | |
| SCHEMBL19507528 | 0.84 | S1PR1 (0.57) | S1PR1S1PR5CYP2C9S1PR3XDH | |
| SCHEMBL21300395 | 0.83 | S1PR1 (0.46) | S1PR1S1PR5CYP2C9HSD17B1HSD17B2 | |
| SCHEMBL20058112 | 0.83 | S1PR1 (0.40) | S1PR1CYP11B2 | |
| SCHEMBL20058145 | 0.83 | S1PR1 (0.51) | S1PR1S1PR5CYP2C9S1PR3XDH |
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 |
|---|---|---|---|---|---|---|---|
| EP-2498609-B1 | SELECTIVE HETEROCYCLIC SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS | CELGENE INT II SARL (CH) | 2018-04-18 | — | — | EP | disclosed |