Known targets — ChEMBL curated mechanism
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
The experimentally established mechanism targets of 2-Pyrrolidone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.71 |
| ▸ | CRBN | Q96SW2 | 4/20 | 0.61 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| 2-Pyrrolidone SCHEMBL17061486 | 0.98 | OR51E2 (0.75) | OR51E2CRBNFKBP5KDM4EGAA | |
| 2-Pyrrolidone SCHEMBL27698786 | 0.98 | OR51E2 (0.75) | OR51E2CRBNFKBP5KDM4EGAA | |
| Sulfuric Acid SCHEMBL30278662 | 0.91 | CRBN (0.76) | OR51E2CRBNFKBP5KDM4EGAA | |
| Sulfuric Acid SCHEMBL28455727 | 0.88 | CRBN (0.73) | OR51E2CRBNFKBP5KDM4EGAA | |
| Caprolactam SCHEMBL1521129 | 0.88 | CRBN (0.73) | OR51E2CRBNFKBP5KDM4EGAA | |
| 2-Pyrrolidone SCHEMBL8962584 | 0.88 | OR51E2 (0.68) | OR51E2CRBNFKBP5KDM4EGAA | |
| 2-Pyrrolidone SCHEMBL27503412 | 0.88 | OR51E2 (0.68) | OR51E2CRBNFKBP5KDM4EGAA | |
| 2-Pyrrolidone SCHEMBL8962586 | 0.88 | OR51E2 (0.68) | OR51E2CRBNFKBP5KDM4EGAA | |
| 2-Pyrrolidone SCHEMBL6290823 | 0.87 | — | — | |
| 2-Pyrrolidone SCHEMBL28474712 | 0.87 | OR51E2 (0.60) | OR51E2CRBNFKBP5KDM4EGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101312730-A | Pharmaceutical compositions comprising buprenorphine | SCHERING PLOUGH LTD (CH) | 2008-11-26 | — | — | CN | disclosed |
| EP-1954275-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING BUPRENORPHINE | Schering-Plough Ltd. (CH) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007061739-A2 | PHARMACEUTICAL COMPOSITIONS COMPRISING BUPRENORPHINE | SCHERING-PLOUGH LTD. (CH) | 2007-05-31 | — | — | WO | disclosed |
| US-20070117828-A1 | Pharmaceutical compositions | SCHERING-PLOUGH ANIMAL HEALTH CORP. | 2007-05-24 | — | — | US | disclosed |