Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | DBH | P09172 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | F2R | P25116 | 1/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6561182 | 0.81 | ALDH1A1 (0.47) | ALDH1A1GAAL3MBTL1NPSR1HTR6 | |
| SCHEMBL6560541 | 0.80 | HTR2C (0.36) | ALDH1A1 | |
| SCHEMBL1994199 | 0.78 | GRM2 (0.45) | ALDH1A1NPSR1 | |
| SCHEMBL1400685 | 0.72 | PPARD (0.37) | ALDH1A1GAASMN1; SMN2POLBMEN1 | |
| SCHEMBL5975117 | 0.69 | NR3C1 (0.41) | ALDH1A1GAA | |
| SCHEMBL6086279 | 0.69 | HTR6 (0.52) | ALDH1A1NPSR1HTR6SMN1; SMN2LMNA | |
| SCHEMBL14541609 | 0.69 | POLB (0.41) | ALDH1A1GAAL3MBTL1NPSR1SMN1; SMN2 | |
| SCHEMBL6559556 | 0.68 | KCNH2 (0.43) | — | |
| SCHEMBL6085877 | 0.67 | HTR6 (0.53) | ALDH1A1NPSR1HTR6SMN1; SMN2LMNA | |
| SCHEMBL122228 | 0.66 | HTR6 (0.52) | ALDH1A1NPSR1HTR6SMN1; SMN2LMNA |
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-0904079-B1 | ANTIDIABETIC AGENTS | MERCK & CO INC (US) | 2004-03-24 | — | — | EP | disclosed |
| US-5859051-A | ACETYLPHENOL DERIVATIVES | MERCK & CO., INC. (US) | 1999-01-12 | — | — | US | disclosed |