Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.55 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.55 |
| ▸ | MGLL | Q99685 | 2/20 | 0.43 |
| ▸ | CTSA | P10619 | 3/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.38 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.38 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.38 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.38 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.38 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.36 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.36 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.36 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.36 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL3294707 | 0.77 | AKR1C3 (0.54) | AKR1C3AKR1C2CTSAPSEN1PSEN2 | |
| SCHEMBL16654240 | 0.74 | ENPP2 (0.42) | MGLLENPP2CA1CA2 | |
| SCHEMBL29822068 | 0.74 | ENPP2 (0.42) | MGLLENPP2CA1CA2 | |
| SCHEMBL28441006 | 0.72 | AKR1C3 (0.50) | AKR1C3AKR1C2CTSAPSEN1PSEN2 | |
| SCHEMBL29830169 | 0.71 | ENPP2 (0.42) | MGLLENPP2CA1CA2 | |
| SCHEMBL22828 | 0.71 | ENPP2 (0.42) | MGLLENPP2CA1CA2 | |
| SCHEMBL28546065 | 0.71 | ESR1 (0.55) | ENPP2CA1CA2ERN1 | |
| SCHEMBL20638904 | 0.70 | ENPP2 (0.41) | MGLLENPP2CA1CA2 | |
| SCHEMBL29953216 | 0.70 | ENPP2 (0.41) | MGLLENPP2CA1CA2 | |
| SCHEMBL23114 | 0.69 | ENPP2 (0.52) | ENPP2CA1CA2 |
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-109666044-B | Organophosphorus compound based on [2.2] p-cyclophane alkyl skeleton and intermediate, preparation method and application thereof | 浙江大学 | 2021-03-05 | — | — | CN | disclosed |