Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL17470458 | 0.97 | PDK2 (0.42) | PDK2PGRALDH1A1CES2BCHE | |
| SCHEMBL15030714 | 0.95 | PDK2 (0.41) | PDK2PGRALDH1A1CES2BCHE | |
| SCHEMBL19007133 | 0.94 | PDK2 (0.43) | PDK2PGRALDH1A1CES2BCHE | |
| SCHEMBL29461269 | 0.94 | PDK2 (0.43) | PDK2PGRALDH1A1CES2BCHE | |
| SCHEMBL29461358 | 0.91 | PDK2 (0.37) | PDK2PGRALDH1A1CES2BCHE | |
| SCHEMBL28992376 | 0.91 | PDK2 (0.37) | PDK2PGRALDH1A1CES2BCHE | |
| SCHEMBL19007136 | 0.91 | PDK2 (0.37) | PDK2PGRALDH1A1CES2BCHE | |
| SCHEMBL23930762 | 0.91 | PDK2 (0.37) | PDK2PGRALDH1A1CES2BCHE | |
| SCHEMBL12126537 | 0.91 | PDK2 (0.42) | PDK2PGRALDH1A1CES2BCHE | |
| SCHEMBL29580927 | 0.88 | PDK2 (0.39) | PDK2PGRALDH1A1CES2BCHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018230854-A1 | NOVEL ACRIDINE DERIVATIVE, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 경상대학교산학협력단 | 2018-12-20 | — | — | WO | disclosed |