Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 7/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 4/20 | 0.48 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.48 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.46 |
| ▸ | THRA | P10827 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.41 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | TACR2 | P21452 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6362290 | 1.00 | S1PR1 (0.48) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL6676506 | 0.83 | HRH3 (0.46) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL6181254 | 0.79 | S1PR1 (0.57) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL6179863 | 0.79 | S1PR1 (0.57) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL3909199 | 0.78 | S1PR1 (0.50) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL3909200 | 0.78 | S1PR1 (0.50) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL6199477 | 0.77 | S1PR1 (0.62) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL23583415 | 0.75 | S1PR1 (0.55) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL6676503 | 0.75 | S1PR1 (0.55) | S1PR1S1PR3S1PR4S1PR5HRH3 | |
| SCHEMBL20723276 | 0.74 | HRH3 (0.49) | S1PR1S1PR3S1PR4S1PR5HRH3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1470137-A4 | EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2005-06-15 | — | — | EP | disclosed |
| EP-1469863-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| EP-1470137-A1 | EDG RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2004-10-27 | — | — | EP | disclosed |
| WO-2003062252-A1 | EDG RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |
| WO-2003061567-A2 | SELECTIVE S1P1/EDG1 RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2003-07-31 | — | — | WO | disclosed |