Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.37 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17184797 | 0.74 | KDM1A (0.39) | KDM1ANPSR1LMNAMEN1KMT2A | |
| SCHEMBL6985693 | 0.73 | ITGB1 (0.49) | KDM1ANPSR1LMNAALDH1A1 | |
| SCHEMBL6990768 | 0.73 | NPSR1 (0.44) | NPSR1LMNAALDH1A1KDM4EMAPT | |
| SCHEMBL5481415 | 0.71 | NPSR1 (0.45) | KDM1ANPSR1LMNAALDH1A1KDM4E | |
| SCHEMBL7117751 | 0.67 | DRD2 (0.42) | LMNAALDH1A1SLC6A3KDM4E | |
| SCHEMBL7117749 | 0.67 | DRD2 (0.42) | LMNAALDH1A1SLC6A3KDM4E | |
| SCHEMBL11355593 | 0.67 | CMA1 (0.45) | CES2MEN1KMT2ACMA1ALDH1A1 | |
| SCHEMBL29049348 | 0.67 | FFAR1 (0.46) | NPSR1LMNACMA1ALDH1A1MAPT | |
| SCHEMBL17523286 | 0.67 | SLC6A3 (0.41) | NPSR1MEN1KMT2AALDH1A1SLC6A3 | |
| SCHEMBL1901694 | 0.66 | ALDH1A1 (0.48) | NPSR1LMNAALDH1A1MAPT |
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-103877080-B | 4,5-bis-replaces-medicinal usage of 2-Pyrrolidone compound | Key Laboratory of natural product chemistry, Chinese Academy of Sciences, Guizhou Province (CN) | 2016-01-27 | — | — | CN | claimed |
| CN-103877080-A | New use of 4, 5-disubstituted-2-pyrrolidone compound | KEY LAB OF CHEMISTRY NATURAL PRODUCTS OF GUIZHOU PROVINCE AND CHINESE ACADEMY | 2014-06-25 | — | — | CN | claimed |
| CN-103877080-B | 4,5-bis-replaces-medicinal usage of 2-Pyrrolidone compound | Key Laboratory of natural product chemistry, Chinese Academy of Sciences, Guizhou Province (CN) | 2016-01-27 | — | — | CN | disclosed |
| CN-103877080-A | New use of 4, 5-disubstituted-2-pyrrolidone compound | KEY LAB OF CHEMISTRY NATURAL PRODUCTS OF GUIZHOU PROVINCE AND CHINESE ACADEMY | 2014-06-25 | — | — | CN | disclosed |