Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MELK | Q14680 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 6/20 | 0.36 |
| ▸ | CHUK | O15111 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.34 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HASPIN | Q8TF76 | 2/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23944626 | 1.00 | MAOA (0.37) | MAOAMELKIKBKBCHUKAKT1 | |
| SCHEMBL23944686 | 0.78 | HSP90AA1 (0.42) | MAOAMELKIKBKBCYP1A2CYP3A4 | |
| SCHEMBL23944608 | 0.78 | HSP90AA1 (0.42) | MAOAMELKIKBKBCYP1A2CYP3A4 | |
| SCHEMBL16431842 | 0.76 | IKBKB (0.55) | MAOAIKBKBCHUKTLR8CYP11B1 | |
| SCHEMBL29380244 | 0.76 | IKBKB (0.55) | MAOAIKBKBCHUKTLR8CYP11B1 | |
| SCHEMBL2496646 | 0.76 | IKBKB (0.55) | MAOAIKBKBCHUKTLR8CYP11B1 | |
| SCHEMBL28122833 | 0.73 | MAOA (0.51) | MAOAMELKAKT1CYP3A4ALK | |
| SCHEMBL23944917 | 0.72 | ADORA1 (0.41) | SMN1; SMN2TLR8 | |
| SCHEMBL23944528 | 0.72 | TLR8 (0.38) | SMN1; SMN2TLR8 | |
| SCHEMBL1271246 | 0.71 | MAOA (0.59) | MAOAMELKIKBKBCHUKPOLB |
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-2021210910-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2021-10-21 | — | — | WO | disclosed |