Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.38 |
| ▸ | MDM4 | O15151 | 3/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 6/20 | 0.37 |
| ▸ | PSEN2 | P49810 | 6/20 | 0.37 |
| ▸ | APH1B | Q8WW43 | 6/20 | 0.37 |
| ▸ | NCSTN | Q92542 | 6/20 | 0.37 |
| ▸ | APH1A | Q96BI3 | 6/20 | 0.37 |
| ▸ | PSENEN | Q9NZ42 | 6/20 | 0.37 |
| ▸ | APLNR | P35414 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.33 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21550133 | 0.86 | ALDH1A1 (0.43) | ALDH1A1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL20157925 | 0.77 | ALDH1A1 (0.36) | ALDH1A1MDM2APLNRPKM | |
| SCHEMBL21564721 | 0.77 | MDM2 (0.30) | MDM2 | |
| SCHEMBL21550148 | 0.76 | PYGL (0.41) | ALDH1A1EPAS1RORCPKMPOLB | |
| SCHEMBL21550119 | 0.75 | APLNR (0.35) | MDM2APLNRPKMFDFT1 | |
| SCHEMBL21564723 | 0.74 | MDM2 (0.31) | MDM2 | |
| SCHEMBL28473298 | 0.74 | MDM2 (0.46) | MDM4MDM2 | |
| SCHEMBL21550018 | 0.72 | MDM2 (0.49) | ALDH1A1MDM4MDM2 | |
| SCHEMBL21550145 | 0.72 | MDM2 (0.33) | ALDH1A1MDM2PSEN1PSEN2APH1B | |
| SCHEMBL28476113 | 0.70 | MDM2 (0.39) | MDM4MDM2APLNR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |