Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2754780 | 0.85 | ALDH1A1 (0.48) | PDK2ALDH1A1MAPK1MAPTNPC1 | |
| SCHEMBL23655327 | 0.84 | PDK2 (0.61) | PDK2ALDH1A1MAPK1MAPTNPC1 | |
| SCHEMBL20082630 | 0.83 | PDK2 (0.43) | PDK2ALDH1A1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL12354654 | 0.82 | ALDH1A1 (0.40) | ALDH1A1MAPK1MAPTLMNASMN1; SMN2 | |
| SCHEMBL29776217 | 0.82 | GAA (0.44) | ALDH1A1MAPK1MAPTLMNASMN1; SMN2 | |
| SCHEMBL2754774 | 0.82 | GAA (0.44) | ALDH1A1MAPK1MAPTLMNASMN1; SMN2 | |
| SCHEMBL25880376 | 0.82 | PDK2 (0.43) | PDK2ALDH1A1MAPK1CYP1A2CYP3A4 | |
| SCHEMBL19953906 | 0.81 | PDK2 (0.41) | PDK2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL19953872 | 0.81 | PDK2 (0.41) | PDK2ALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL25113109 | 0.81 | ALDH1A1 (0.35) | PDK2ALDH1A1MAPK1CYP1A2CYP3A4 |
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-2017105041-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2017-06-22 | — | — | WO | disclosed |