Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6184942 | 0.85 | NR1H2 (0.36) | LMNAMAPTALDH1A1 | |
| SCHEMBL4728453 | 0.78 | SLC6A2 (0.35) | LMNAMAPTALDH1A1SLC6A4KCNH2 | |
| SCHEMBL18222240 | 0.69 | SLC6A4 (0.38) | LMNAMAPTSLC6A4BRD4CYP1A2 | |
| SCHEMBL7343190 | 0.69 | KCNA5 (0.45) | SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL1649228 | 0.68 | — | — | |
| SCHEMBL629756 | 0.68 | — | — | |
| SCHEMBL3977769 | 0.67 | MT-CO2 (0.38) | SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL21979520 | 0.66 | AOC3 (0.41) | LMNAAOC3ALDH1A1BRD4CYP1A2 | |
| SCHEMBL20660981 | 0.66 | AOC3 (0.41) | LMNAAOC3ALDH1A1BRD4CYP1A2 | |
| SCHEMBL21979530 | 0.66 | AOC3 (0.41) | LMNAAOC3ALDH1A1BRD4CYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5610183-A | Phenylglycine derivatives pharmaceutical compositions containing them and their use in therapy | MERCK, SHARP & DOHME LTD. (GB) | 1997-03-11 | — | — | US | disclosed |
| EP-0593615-A1 | AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY. | MERCK SHARP & DOHME (GB) | 1994-04-27 | — | — | EP | disclosed |
| WO-1993001165-A2 | AROMATIC COMPOUNDS, COMPOSITIONS CONTAINING THEM AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-01-21 | — | — | WO | disclosed |