Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | F2R | P25116 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.35 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.35 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | PYGL | P06737 | 2/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 2/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21550060 | 0.92 | NPC1 (0.38) | NPC1HPGDF2RALDH1A1LMNA | |
| SCHEMBL21555616 | 0.83 | HPGD (0.39) | NPC1HPGDPKMSLC6A9RAB9A | |
| SCHEMBL21550106 | 0.81 | NPC1 (0.35) | NPC1HPGDF2RALDH1A1LMNA | |
| SCHEMBL21550105 | 0.80 | NPC1 (0.35) | NPC1HPGDF2RALDH1A1LMNA | |
| Sulfuric Acid SCHEMBL21553725 | 0.78 | NPC1 (0.34) | NPC1HPGDALDH1A1LMNAGAA | |
| Sulfuric Acid SCHEMBL21553727 | 0.78 | NPC1 (0.33) | NPC1HPGDALDH1A1LMNAGAA | |
| SCHEMBL28469745 | 0.77 | KMT2A (0.47) | NPC1HPGDALDH1A1MAPK13MAPK12 | |
| SCHEMBL21550148 | 0.76 | PYGL (0.41) | NPC1HPGDF2RALDH1A1LMNA | |
| SCHEMBL20158114 | 0.75 | CHRNA7 (0.37) | HPGDALDH1A1LMNAGAAMAPT | |
| SCHEMBL21549994 | 0.74 | HPGD (0.37) | NPC1HPGDF2RALDH1A1LMNA |
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-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 |