Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13495096 | 1.00 | PDK2 (0.30) | PDK2KDM4EALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL17636184 | 0.93 | PDK2 (0.35) | PDK2 | |
| SCHEMBL13352638 | 0.90 | PDK2 (0.31) | PDK2ALDH1A1MAPT | |
| SCHEMBL13271454 | 0.89 | PDK2 (0.33) | PDK2ALDH1A1MAPT | |
| SCHEMBL13698988 | 0.89 | PDK2 (0.33) | PDK2ALDH1A1MAPT | |
| SCHEMBL13710922 | 0.89 | GRM5 (0.32) | — | |
| SCHEMBL13511456 | 0.88 | — | — | |
| SCHEMBL13345218 | 0.88 | PDK2 (0.33) | PDK2 | |
| SCHEMBL10052474 | 0.88 | — | — | |
| SCHEMBL12954843 | 0.88 | PDK2 (0.30) | PDK2KDM4EALDH1A1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1883688-B1 | COMPOUNDS FOR ORGANIC ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2018-04-11 | — | — | EP | disclosed |