Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 4/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 3/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.31 |
| ▸ | CES2 | O00748 | 2/20 | 0.31 |
| ▸ | CES1 | P23141 | 2/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | FDFT1 | P37268 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20157925 | 0.82 | ALDH1A1 (0.36) | MDM2NR3C2PDE2ADPP4DPP7 | |
| SCHEMBL21352143 | 0.79 | BRD4 (0.34) | CES2CES1 | |
| SCHEMBL21550119 | 0.77 | APLNR (0.35) | MDM2APLNRPKMFDFT1 | |
| SCHEMBL20157702 | 0.74 | ATM (0.40) | — | |
| SCHEMBL28473298 | 0.73 | MDM2 (0.46) | MDM2 | |
| SCHEMBL22190313 | 0.73 | HSD11B1 (0.35) | PDE2A | |
| SCHEMBL21550122 | 0.72 | ALDH1A1 (0.41) | MDM2PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL21550018 | 0.72 | MDM2 (0.49) | MDM2NR3C2ALDH1A1 | |
| SCHEMBL6742606 | 0.71 | KDM1A (0.33) | PDE2A | |
| SCHEMBL28476113 | 0.69 | MDM2 (0.39) | MDM2NR3C2DPP4DPP7APLNR |
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 |