Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 15/20 | 0.53 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.51 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.51 |
| ▸ | BRD3 | Q15059 | 3/20 | 0.50 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30762338 | 0.90 | S1PR1 (0.59) | S1PR1S1PR4ADORA3S1PR5BRD3 | |
| SCHEMBL5421567 | 0.90 | S1PR1 (0.59) | S1PR1S1PR4ADORA3S1PR5BRD3 | |
| SCHEMBL5088953 | 0.90 | S1PR1 (0.59) | S1PR1S1PR4ADORA3S1PR5BRD3 | |
| SCHEMBL29141416 | 0.90 | S1PR1 (0.59) | S1PR1S1PR4ADORA3S1PR5BRD3 | |
| SCHEMBL9019672 | 0.86 | BRD3 (0.60) | S1PR1S1PR4ADORA3S1PR5BRD3 | |
| SCHEMBL6692540 | 0.78 | S1PR1 (0.48) | S1PR1S1PR4ADORA3S1PR5BRD3 | |
| SCHEMBL2297254 | 0.77 | S1PR1 (0.60) | S1PR1S1PR4ADORA3S1PR5MAPKAPK2 | |
| SCHEMBL29141420 | 0.77 | S1PR1 (0.60) | S1PR1S1PR4ADORA3S1PR5MAPKAPK2 | |
| SCHEMBL32666146 | 0.77 | S1PR1 (0.60) | S1PR1S1PR4ADORA3S1PR5MAPKAPK2 | |
| SCHEMBL30762322 | 0.77 | S1PR1 (0.60) | S1PR1S1PR4ADORA3S1PR5MAPKAPK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004104205-A2 | ENZYMATIC PREPARATION OF CHIRAL INDOLE ESTERS | MERCK & CO., INC. (US) | 2004-12-02 | — | — | WO | claimed |