Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.31 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.31 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TLR4 | O00206 | 3/20 | 0.31 |
| ▸ | PYGL | P06737 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL21553724 | 0.96 | NPC1 (0.33) | NPC1SLC6A2SLC6A4SLC6A3HPGD | |
| SCHEMBL21352131 | 0.82 | CNR2 (0.35) | ALDH1A1LMNAKMT2A | |
| SCHEMBL21555615 | 0.80 | HPGD (0.38) | NPC1SLC6A2SLC6A4SLC6A3HPGD | |
| SCHEMBL28469744 | 0.80 | NPC1 (0.39) | NPC1SLC6A2SLC6A4SLC6A3HPGD | |
| SCHEMBL21550106 | 0.79 | NPC1 (0.35) | NPC1SLC6A2SLC6A4SLC6A3HPGD | |
| SCHEMBL21352153 | 0.78 | CHRNA7 (0.33) | HPGDALDH1A1LMNAKMT2A | |
| SCHEMBL21352001 | 0.77 | CNR2 (0.34) | NPC1SLC6A9LMNAKMT2APSEN1 | |
| Sulfuric Acid SCHEMBL21553725 | 0.77 | NPC1 (0.34) | NPC1HPGDSLC6A9MAPK13MAPK12 | |
| Sulfuric Acid SCHEMBL21553727 | 0.76 | NPC1 (0.33) | NPC1HPGDSLC6A9MAPK13MAPK12 | |
| SCHEMBL21550060 | 0.75 | NPC1 (0.38) | NPC1SLC6A2SLC6A4SLC6A3HPGD |
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 |
|---|---|---|---|---|---|---|---|
| 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 |