Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.33 |
| ▸ | PRKDC | P78527 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.30 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 2/20 | 0.30 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | AHR | P35869 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL21020447 | 0.87 | CYP1A2 (0.32) | CYP1A2CYP2A6 | |
| SCHEMBL21021478 | 0.86 | CYP1A2 (0.31) | CYP1A2CYP2A6CRHR1 | |
| SCHEMBL20172797 | 0.86 | MCL1 (0.39) | CYP1A2CYP2A6MCL1PRKDCC5AR1 | |
| SCHEMBL21020264 | 0.86 | LMNA (0.39) | MAPTTP53AHRPOLBLMNA | |
| SCHEMBL21020285 | 0.85 | MEN1 (0.30) | CYP1A2CYP2A6MAPTLMNA | |
| SCHEMBL21021455 | 0.85 | MEN1 (0.36) | C5AR1MAPTGAACRHR1SMN1; SMN2 | |
| SCHEMBL21020274 | 0.85 | LMNA (0.33) | CYP1A2CYP2A6MAPTLMNA | |
| SCHEMBL21021042 | 0.84 | KDM4E (0.40) | MAPTGAAALDH1A1 | |
| SCHEMBL21020293 | 0.84 | NR1H2 (0.34) | MAPTTP53SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL21019986 | 0.82 | MCL1 (0.36) | CYP1A2CYP2A6MCL1CSNK2A2CSNK2B |
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 |