Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 19/20 | 0.52 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2016666 | 0.87 | S1PR1 (0.41) | S1PR1S1PR5 | |
| SCHEMBL28527342 | 0.85 | S1PR1 (0.42) | S1PR1S1PR5S1PR4 | |
| SCHEMBL2021001 | 0.76 | S1PR1 (0.75) | S1PR1S1PR5S1PR4CYP2C9 | |
| SCHEMBL2016746 | 0.76 | S1PR1 (0.75) | S1PR1S1PR5S1PR4CYP2C9 | |
| SCHEMBL2016745 | 0.76 | S1PR1 (0.75) | S1PR1S1PR5S1PR4CYP2C9 | |
| SCHEMBL17690538 | 0.76 | S1PR1 (0.62) | S1PR1S1PR5S1PR4CYP2C9 | |
| SCHEMBL5775625 | 0.75 | S1PR1 (0.47) | S1PR1S1PR5S1PR4FFAR4 | |
| SCHEMBL2018070 | 0.74 | GAA (0.37) | S1PR1 | |
| SCHEMBL2923853 | 0.72 | PTGDR (0.53) | S1PR1S1PR5 | |
| SCHEMBL2922357 | 0.72 | PTGDR (0.44) | 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 |