Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYGL | P06737 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | FLT1 | P17948 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21362178 | 0.88 | NPC1 (0.41) | PYGLHPGDCISD1ALDH1A1LMNA | |
| SCHEMBL20157769 | 0.86 | HPGD (0.39) | PYGLHPGDCISD1ALDH1A1LMNA | |
| SCHEMBL21564804 | 0.85 | CA1 (0.39) | HPGDCA1CA2CA9CA12 | |
| SCHEMBL28465096 | 0.85 | PYGL (0.38) | PYGLHPGDCISD1CA1CA2 | |
| SCHEMBL21351905 | 0.83 | CA2 (0.41) | CISD1CA1CA2CA9CA12 | |
| SCHEMBL21352128 | 0.83 | HPGD (0.43) | PYGLHPGDALDH1A1LMNAGAA | |
| SCHEMBL20158008 | 0.79 | HPGD (0.40) | PYGLHPGDALDH1A1LMNAGAA | |
| SCHEMBL21550081 | 0.78 | CA12 (0.39) | PYGLHPGDCISD1CA1CA2 | |
| SCHEMBL21550148 | 0.76 | PYGL (0.41) | PYGLHPGDALDH1A1LMNAGAA | |
| SCHEMBL21352079 | 0.74 | HPGD (0.46) | PYGLHPGDALDH1A1LMNAGAA |
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-111819181-A | Benzo-seven-membered heterocyclic compound, preparation method, pharmaceutical composition and application thereof | 罗欣药业(上海)有限公司 | 2020-10-23 | — | — | CN | disclosed |
| WO-2019214399-A1 | BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | 罗欣药业(上海)有限公司 (CN) | 2019-11-14 | — | — | WO | disclosed |