Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 14/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 12/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 8/20 | 0.43 |
| ▸ | MEN1 | O00255 | 7/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.41 |
| ▸ | USP2 | O75604 | 7/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25874355 | 0.89 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6CLK4MEN1 | |
| SCHEMBL25875035 | 0.84 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6CLK4MEN1 | |
| SCHEMBL26267804 | 0.84 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CLK4MEN1 | |
| SCHEMBL25875851 | 0.82 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2D6CLK4MEN1 | |
| SCHEMBL26280444 | 0.79 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2D6CLK4MEN1 | |
| SCHEMBL25651189 | 0.79 | PDE10A (0.43) | CYP1A2MEN1KMT2AALDH1A1TSHR | |
| SCHEMBL23105652 | 0.78 | CYP1A2 (0.42) | CYP1A2CYP3A4CYP2D6CLK4MEN1 | |
| SCHEMBL26287881 | 0.78 | CYP1A2 (0.39) | CYP1A2CYP3A4CYP2D6CLK4MEN1 | |
| SCHEMBL22908175 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CLK4MEN1 | |
| SCHEMBL20404903 | 0.75 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2D6CLK4MEN1 |
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-2023140649-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-07-27 | — | — | WO | disclosed |