Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21021500 | 0.87 | CYP1A2 (0.38) | CYP1A2CYP2A6MAPTNPSR1 | |
| SCHEMBL20172885 | 0.86 | ACHE (0.37) | CYP1A2CYP2A6MAPTNPSR1 | |
| SCHEMBL20650832 | 0.85 | CYP1A2 (0.31) | CYP1A2CYP2A6 | |
| SCHEMBL21020022 | 0.83 | NR1H2 (0.34) | NPSR1 | |
| SCHEMBL21020590 | 0.82 | MAPT (0.38) | CYP1A2CYP2A6KDM4EMAPTNPSR1 | |
| SCHEMBL21020322 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL21020588 | 0.82 | LMNA (0.33) | CYP1A2CYP2A6MAPT | |
| SCHEMBL21020311 | 0.82 | MEN1 (0.36) | CYP1A2CYP2A6MAPTNPSR1 | |
| SCHEMBL21021504 | 0.82 | HSD17B1 (0.32) | CYP1A2CYP2A6NPSR1 | |
| SCHEMBL21020464 | 0.82 | CYP1A2 (0.30) | CYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3428152-B1 | COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2021-11-03 | — | — | EP | disclosed |