Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10105967 | 0.91 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL987854 | 0.87 | USP2 (0.55) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL987853 | 0.87 | USP2 (0.55) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL10105972 | 0.86 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL332094 | 0.84 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL332093 | 0.84 | CYP1A2 (0.53) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL17366375 | 0.82 | G6PC1 (0.57) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL9095416 | 0.82 | MEN1 (0.53) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL9095412 | 0.82 | MEN1 (0.53) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 | |
| SCHEMBL9915793 | 0.82 | CYP1A2 (0.51) | CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19 |
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-2017111389-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE INCLUDING SAME | 주식회사 두산 | 2017-06-29 | — | — | WO | disclosed |