Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | WHR1 | P49842 | 1/20 | 0.33 |
| ▸ | NR1I3 | Q14994 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.32 |
| ▸ | AHR | P35869 | 2/20 | 0.32 |
| ▸ | VDR | P11473 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.31 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22989030 | 0.95 | MEN1 (0.42) | MEN1KMT2AATMWHR1NR1I3 | |
| SCHEMBL22989016 | 0.94 | ATM (0.38) | MEN1KMT2AATMWHR1NR1I3 | |
| SCHEMBL22989017 | 0.93 | ATM (0.42) | MEN1KMT2AATMWHR1NR1I3 | |
| SCHEMBL22989140 | 0.92 | MEN1 (0.38) | MEN1KMT2AATMWHR1NR1I3 | |
| SCHEMBL22989029 | 0.92 | ATM (0.43) | MEN1KMT2AATMWHR1NR1I3 | |
| SCHEMBL22989195 | 0.89 | MEN1 (0.36) | MEN1KMT2AATMWHR1NR1I3 | |
| SCHEMBL22989001 | 0.89 | ATM (0.35) | MEN1KMT2AATMWHR1NR1I3 | |
| SCHEMBL22989141 | 0.87 | MEN1 (0.48) | MEN1KMT2AATMWHR1NR1I3 | |
| SCHEMBL22989026 | 0.85 | TSHR (0.38) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL22988912 | 0.85 | KDM4E (0.36) | MEN1KMT2ACYP1A2ALDH1A1HSD17B10 |
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-2021029757-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2021-02-18 | — | — | WO | disclosed |