Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.75 |
| ▸ | LTA4H | P09960 | 3/20 | 0.66 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 6/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.51 |
| ▸ | RARB | P10826 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| 4-Hydroxybenzaldehyde SCHEMBL9749028 | 0.98 | NR5A1 (0.72) | NR5A1LTA4HABCG2ALDH1A1LMNA | |
| SCHEMBL1164373 | 0.92 | ALDH1A1 (0.67) | NR5A1LTA4HALDH1A1LMNAMAPT | |
| SCHEMBL1958537 | 0.92 | ALDH1A1 (0.67) | NR5A1LTA4HALDH1A1LMNAMAPT | |
| SCHEMBL2041458 | 0.92 | ALDH1A1 (0.67) | NR5A1LTA4HALDH1A1LMNAMAPT | |
| SCHEMBL10497693 | 0.92 | ALDH1A1 (0.67) | NR5A1LTA4HALDH1A1LMNAMAPT | |
| SCHEMBL585375 | 0.92 | ALDH1A1 (0.67) | NR5A1LTA4HALDH1A1LMNAMAPT | |
| SCHEMBL1164661 | 0.92 | ALDH1A1 (0.67) | NR5A1LTA4HALDH1A1LMNAMAPT | |
| SCHEMBL1864244 | 0.92 | ALDH1A1 (0.67) | NR5A1LTA4HALDH1A1LMNAMAPT | |
| SCHEMBL1239921 | 0.92 | ALDH1A1 (0.67) | NR5A1LTA4HALDH1A1LMNAMAPT | |
| SCHEMBL10498196 | 0.92 | ALDH1A1 (0.67) | NR5A1LTA4HALDH1A1LMNAMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |