Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 19/20 | 0.41 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28538177 | 0.90 | S1PR1 (0.50) | S1PR1S1PR4S1PR5 | |
| SCHEMBL2015902 | 0.90 | S1PR1 (0.48) | S1PR1S1PR4S1PR5ADORA3 | |
| SCHEMBL2020783 | 0.89 | S1PR1 (0.51) | S1PR1S1PR4S1PR5 | |
| SCHEMBL2016310 | 0.89 | S1PR1 (0.52) | S1PR1S1PR4S1PR5 | |
| SCHEMBL2016264 | 0.88 | S1PR1 (0.51) | S1PR1S1PR4S1PR5ADORA3 | |
| SCHEMBL2024094 | 0.87 | S1PR1 (0.49) | S1PR1S1PR4S1PR5 | |
| SCHEMBL2020845 | 0.86 | S1PR1 (0.49) | S1PR1S1PR4S1PR5ADORA3 | |
| SCHEMBL28521181 | 0.85 | S1PR1 (0.51) | S1PR1S1PR4S1PR5 | |
| SCHEMBL2019892 | 0.84 | S1PR1 (0.49) | S1PR1S1PR4S1PR5 | |
| SCHEMBL28907781 | 0.83 | S1PR1 (0.46) | S1PR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105816453-B | Substituted tricyclic acid derivatives as S1P1 receptor agonists for the treatment of autoimmune and inflammatory disorders | 艾尼纳制药公司 | 2021-03-05 | — | — | CN | disclosed |