Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Methylpyrrolidone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.77 |
| ▸ | BRD2 | P25440 | 1/20 | 0.77 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | INMT | O95050 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Methylpyrrolidone SCHEMBL10701586 | 0.98 | BRD4 (0.81) | BRD4BRD2LMNAALDH1A1KMT2A | |
| Methylpyrrolidone SCHEMBL28866005 | 0.95 | BRD4 (0.77) | BRD4BRD2LMNAALDH1A1KMT2A | |
| Methylpyrrolidone SCHEMBL1801243 | 0.91 | BRD4 (0.77) | BRD4BRD2LMNAALDH1A1KMT2A | |
| Methylpyrrolidone SCHEMBL28302443 | 0.91 | — | — | |
| Methylpyrrolidone SCHEMBL28884394 | 0.89 | BRD4 (0.74) | BRD4BRD2LMNAALDH1A1KMT2A | |
| Methylpyrrolidone SCHEMBL28608007 | 0.89 | BRD4 (0.74) | BRD4BRD2LMNAALDH1A1KMT2A | |
| Methylpyrrolidone SCHEMBL2243830 | 0.88 | BRD4 (0.81) | BRD4BRD2LMNAALDH1A1KMT2A | |
| Methylpyrrolidone SCHEMBL28250382 | 0.88 | BRD4 (0.90) | BRD4BRD2LMNAALDH1A1KMT2A | |
| Methylpyrrolidone SCHEMBL1368701 | 0.88 | — | — | |
| Methylpyrrolidone SCHEMBL8055062 | 0.88 | BRD4 (1.00) | BRD4BRD2LMNAALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112467114-B | Silica composite material, preparation method thereof and lithium ion battery | 湖南中科星城石墨有限公司 | 2023-02-10 | — | — | CN | disclosed |
| CN-112467114-A | Silica composite material, preparation method thereof and lithium ion battery | 湖南中科星城石墨有限公司 | 2021-03-09 | — | — | CN | disclosed |