Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.46 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22824748 | 0.88 | NR1H4 (0.49) | NR1H4NAMPTHDAC1KMT2ANR1H2 | |
| SCHEMBL29790453 | 0.85 | NAMPT (0.46) | NR1H4EPHX2NAMPTHDAC1KMT2A | |
| SCHEMBL28865597 | 0.80 | NR1H4 (0.47) | NR1H4EPHX2NAMPTPHGDHHDAC1 | |
| SCHEMBL2390936 | 0.80 | GSK3B (0.40) | NAMPTKMT2AMEN1 | |
| SCHEMBL2389887 | 0.80 | GSK3B (0.40) | NAMPTKMT2AMEN1 | |
| SCHEMBL30125559 | 0.79 | GSK3B (0.37) | HDAC1HDAC6HDAC10 | |
| SCHEMBL1986577 | 0.79 | GSK3B (0.43) | KMT2AMEN1 | |
| SCHEMBL6428501 | 0.77 | GSK3B (0.41) | NAMPTKMT2AMEN1 | |
| SCHEMBL21316476 | 0.77 | NAMPT (0.46) | NAMPTKMT2AMEN1 | |
| SCHEMBL22824757 | 0.76 | GSK3B (0.36) | HDAC1HDAC6L3MBTL1HDAC10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108602803-A | Piperidinobenzodiazepine compounds with antiproliferative activity | 福姆通格尼克斯有限公司 | 2018-09-28 | — | — | CN | disclosed |