Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31470344 | 0.76 | TP53 (0.35) | TP53MAPTALOX15HSD17B10CYP2C9 | |
| SCHEMBL28452791 | 0.72 | TP53 (0.38) | TP53MAPTALOX15HSD17B10CYP2C9 | |
| SCHEMBL27675737 | 0.72 | TP53 (0.30) | TP53MAPTALOX15HSD17B10 | |
| SCHEMBL28686480 | 0.72 | TP53 (0.35) | TP53MAPTALOX15HSD17B10CA12 | |
| SCHEMBL28452790 | 0.69 | TP53 (0.33) | TP53MAPTALOX15HSD17B10CYP2C9 | |
| SCHEMBL27517433 | 0.69 | CA12 (0.33) | TP53MAPTALOX15HSD17B10CA12 | |
| SCHEMBL1117851 | 0.69 | — | — | |
| SCHEMBL1117852 | 0.69 | — | — | |
| SCHEMBL6632492 | 0.65 | — | — | |
| SCHEMBL27442828 | 0.64 | CYP2C9 (0.35) | TP53MAPTALOX15HSD17B10CA12 |
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-114057739-A | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 诺维拉治疗公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-109641896-B | Diazepinone derivatives and their use in the treatment of hepatitis b infections | 诺维拉治疗公司 | 2021-09-21 | — | — | CN | disclosed |