Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | NAMPT | P43490 | 1/20 | 0.77 |
| ▸ | XDH | P47989 | 1/20 | 0.77 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | RIPK1 | Q13546 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.47 |
| ▸ | CDK9 | P50750 | 1/20 | 0.47 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL27894280 | 0.88 | CYP3A4 (0.82) | CYP3A4NAMPTXDHPARP1KDM4E | |
| SCHEMBL271341 | 0.88 | CYP3A4 (1.00) | CYP3A4NAMPTXDHPARP1KDM4E | |
| SCHEMBL30051508 | 0.88 | CYP3A4 (1.00) | CYP3A4NAMPTXDHPARP1KDM4E | |
| SCHEMBL8425549 | 0.86 | CYP3A4 (0.96) | CYP3A4NAMPTXDHPARP1KDM4E | |
| Nitric Acid SCHEMBL4907436 | 0.83 | CYP3A4 (0.90) | CYP3A4NAMPTXDHPARP1KDM4E | |
| SCHEMBL28832319 | 0.83 | CYP3A4 (0.68) | CYP3A4NAMPTXDHPARP1KDM4E | |
| Nitric Acid SCHEMBL11709810 | 0.82 | CYP3A4 (0.87) | CYP3A4NAMPTXDHPARP1KDM4E | |
| Ethyl Acetate SCHEMBL27415791 | 0.80 | CYP3A4 (0.68) | CYP3A4NAMPTXDHPARP1KDM4E | |
| Alcohol SCHEMBL28252889 | 0.78 | CYP3A4 (0.65) | CYP3A4NAMPTXDHPARP1KDM4E | |
| SCHEMBL29923659 | 0.77 | CYP3A4 (0.77) | CYP3A4NAMPTXDHPARP1KDM4E |
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-110818710-B | Benzodiazepine compound and preparation method thereof | 石河子大学 | 2021-02-09 | — | — | CN | disclosed |
| CN-110818710-A | Benzodiazepine compound and preparation method thereof | 石河子大学 | 2020-02-21 | — | — | CN | disclosed |