Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MRGPRX1 | Q96LB2 | 7/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.39 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.39 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | PYGL | P06737 | 2/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TLR4 | O00206 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28469745 | 0.92 | KMT2A (0.47) | KMT2AMRGPRX1HPGDMAPK13MAPK12 | |
| SCHEMBL20157667 | 0.83 | MAPT (0.43) | KMT2AMRGPRX1HPGDPSIP1KDM4E | |
| SCHEMBL21564888 | 0.83 | HPGD (0.44) | HPGDMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL20157971 | 0.81 | NPC1 (0.44) | KMT2AMRGPRX1HPGDPSIP1KDM4E | |
| SCHEMBL21549994 | 0.78 | HPGD (0.37) | KMT2AHPGDMAPK13MAPK12MAPK11 | |
| SCHEMBL21550060 | 0.77 | NPC1 (0.38) | HPGDMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL21550021 | 0.76 | MAPK14 (0.45) | HPGDMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL28465102 | 0.76 | MAPK13 (0.44) | HPGDMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL21550148 | 0.75 | PYGL (0.41) | HPGDMAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL21550056 | 0.74 | HPGD (0.42) | KMT2AHPGDMAPK13MAPK12MAPK11 |
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 3 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 |
| 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 |