Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 6/20 | 0.55 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.55 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.55 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.47 |
| ▸ | THRA | P10827 | 2/20 | 0.44 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | RARB | P10826 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RARA | P10276 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6181254 | 0.85 | S1PR1 (0.57) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL6179863 | 0.85 | S1PR1 (0.57) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL23583415 | 0.83 | S1PR1 (0.55) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL13938044 | 0.82 | S1PR1 (0.52) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL4289421 | 0.82 | S1PR1 (0.60) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL4298783 | 0.82 | S1PR1 (0.60) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL5797072 | 0.82 | S1PR1 (0.60) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL4300178 | 0.82 | S1PR1 (0.60) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL13938047 | 0.81 | S1PR1 (0.53) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL14957149 | 0.80 | CYP2D6 (0.54) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7479504-B2 | Edg receptor agonists | MERCK & CO., INC. (US) | 2009-01-20 | — | — | US | disclosed |
| US-7479504-B2 | Edg receptor agonists | MERCK & CO., INC. (US) | 2009-01-20 | — | — | US | disclosed |
| EP-1469863-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| WO-2003061567-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |