Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 4/20 | 0.37 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.37 |
| ▸ | RXRA | P19793 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2539220 | 0.77 | MAPK1 (0.46) | MAPK1GPR119NR1H2NR1H3RXRA | |
| SCHEMBL11085179 | 0.77 | MAPK1 (0.44) | MAPK1GPR119NR1H2NR1H3RXRA | |
| SCHEMBL11078567 | 0.75 | MAPK1 (0.44) | MAPK1GPR119NR1H2NR1H3RXRA | |
| SCHEMBL11077540 | 0.74 | KLK7 (0.48) | MAPK1NR1H2NR1H3KDM4ELMNA | |
| SCHEMBL6936892 | 0.74 | KLK7 (0.48) | MAPK1NR1H2NR1H3KDM4ELMNA | |
| SCHEMBL11082087 | 0.74 | NR1H2 (0.43) | MAPK1GPR119NR1H2NR1H3RXRA | |
| SCHEMBL28466908 | 0.73 | ALDH1A1 (0.47) | MAPK1KDM4ELMNAALDH1A1 | |
| SCHEMBL27330497 | 0.73 | ALDH1A1 (0.47) | MAPK1KDM4ELMNAALDH1A1 | |
| SCHEMBL6268801 | 0.72 | NR1H2 (0.48) | MAPK1GPR119NR1H2NR1H3RXRA | |
| SCHEMBL5548872 | 0.72 | POLB (0.40) | MAPK1GPR119NR1H2NR1H3RXRA |
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-4483988-A | Substituted derivatives of 4-t-alkoxycarbonyl-piperazin-2-ones | RICHARDSON MERRELL INC. (US) | 1984-11-20 | — | — | US | disclosed |
| US-4435571-A | 5-(Substituted benzyl)-6-oxo-2-piperazine carboxylic acids and esters | RICHARDSON MERRELL INC. (US) | 1984-03-06 | — | — | US | disclosed |
| US-4341698-A | Enkaphalin derivatives | RICHARDSON-MERRELL INC. (US) | 1982-07-27 | — | — | US | disclosed |