Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 5/20 | 0.40 |
| ▸ | RORC | P51449 | 10/20 | 0.36 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | RBP4 | P02753 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.35 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL536094 | 0.86 | PRKG1 (0.38) | NR1H4 | |
| SCHEMBL536095 | 0.79 | BRD4 (0.35) | — | |
| SCHEMBL536674 | 0.78 | S1PR1 (0.39) | S1PR1 | |
| SCHEMBL1725696 | 0.76 | S1PR1 (0.48) | S1PR1RORCTTR | |
| SCHEMBL408083 | 0.76 | GFER (0.46) | S1PR1 | |
| SCHEMBL410352 | 0.75 | GFER (0.42) | — | |
| SCHEMBL1725667 | 0.75 | S1PR1 (0.48) | S1PR1TTRRARARARBRARG | |
| SCHEMBL3466223 | 0.74 | S1PR1 (0.37) | S1PR1TTRRBP4RARARARB | |
| SCHEMBL409116 | 0.74 | S1PR1 (0.49) | S1PR1TTRRARARARBRARG | |
| SCHEMBL536168 | 0.74 | S1PR1 (0.49) | S1PR1TTRRARARARBRARG |
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-2414341-A2 | OXADIAZOLE DERIVATIVES | Merck Serono SA (CH) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010115751-A2 | OXADIAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2010-10-14 | — | — | WO | disclosed |