Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.31 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL24055811 | 0.81 | GPR3 (0.45) | ALDH1A1MAPTJAK2KDM4ESMN1; SMN2 | |
| SCHEMBL22483175 | 0.75 | EGFR (0.39) | CYP2A6CYP1A2KDM4EPDPK1NPC1 | |
| SCHEMBL26423547 | 0.75 | ALDH1A1 (0.42) | ALDH1A1MAPTKDM4EESR1LMNA | |
| SCHEMBL22172191 | 0.74 | CYP2A6 (0.48) | CYP2A6CYP1A2ALDH1A1MAPTKDM4E | |
| SCHEMBL25548831 | 0.73 | MAPT (0.34) | CYP2A6ALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL25548019 | 0.73 | GABRP (0.40) | CYP2A6CYP1A2ALDH1A1MAPTKDM4E | |
| SCHEMBL11990859 | 0.72 | GPR3 (0.46) | CYP2A6CYP1A2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL30888167 | 0.72 | GPR3 (0.46) | CYP2A6CYP1A2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL25547121 | 0.71 | LIMK1 (0.36) | CYP1A2ALDH1A1KDM4ELMNARAB9A | |
| SCHEMBL23024715 | 0.70 | KDM4E (0.56) | CYP2A6ALDH1A1MAPTKDM4EESR1 |
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-2023096465-A1 | NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2023-06-01 | — | — | WO | disclosed |