Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL23937313 | 1.00 | PDK2 (0.38) | PDK2CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL23937317 | 1.00 | PDK2 (0.38) | PDK2CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL23937447 | 0.99 | PDK2 (0.37) | PDK2CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL23937537 | 0.98 | PDK2 (0.36) | PDK2CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL23937316 | 0.98 | PDK2 (0.36) | PDK2CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL23937493 | 0.98 | PDK2 (0.36) | PDK2CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL23937491 | 0.98 | PDK2 (0.36) | PDK2CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL23937496 | 0.95 | PDK2 (0.35) | PDK2CYP1A2CYP2C9CYP2C19NPSR1 | |
| SCHEMBL23937441 | 0.94 | MEN1 (0.39) | PDK2CYP2C19NPSR1ABCG2PGR | |
| SCHEMBL23937414 | 0.93 | MEN1 (0.38) | PDK2CYP2C19NPSR1ABCG2CYP11B1 |
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-3896061-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME | Solus Advanced Materials Co., Ltd. (KR) | 2021-10-20 | — | — | EP | disclosed |