Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 10/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7442356 | 0.88 | L3MBTL1 (0.49) | L3MBTL1ALDH1A1 | |
| SCHEMBL13818346 | 0.82 | SRC (0.48) | SRCGRM2L3MBTL1HRH3ENPP2 | |
| SCHEMBL5220521 | 0.81 | SRC (0.50) | SRCGRM2L3MBTL1HRH3ENPP2 | |
| Hydrochloric Acid SCHEMBL4491429 | 0.80 | SRC (0.49) | SRCGRM2L3MBTL1HRH3ENPP2 | |
| SCHEMBL7950295 | 0.79 | SRC (0.67) | SRC | |
| SCHEMBL12844868 | 0.75 | L3MBTL1 (0.54) | L3MBTL1ALDH1A1 | |
| SCHEMBL6732065 | 0.75 | HSD11B1 (0.55) | L3MBTL1ALDH1A1 | |
| SCHEMBL20570052 | 0.73 | ENPP2 (0.50) | SRCGRM2L3MBTL1HRH3ENPP2 | |
| SCHEMBL14025940 | 0.73 | PER2 (0.40) | L3MBTL1ALDH1A1CYP2C19 | |
| SCHEMBL24938208 | 0.73 | L3MBTL1 (0.84) | GRM2L3MBTL1HRH3ENPP2CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7550453-B2 | Anticancer agents; colon cancer or hepatocellular carcinoma; analogs of bengamide where the caprolactam ring is changed and/or substituted e.g. N-(2-Methyl-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl)-(E)-(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide | AVENTIS PHARMA SA (FR) | 2009-06-23 | — | — | US | disclosed |