Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.31 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.30 |
| ▸ | CDK1 | P06493 | 1/20 | 0.30 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.30 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.30 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.30 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| SCHEMBL24284152 | 0.81 | CYP1A2 (0.43) | CYP1A2ALDH1A1 | |
| SCHEMBL25106981 | 0.76 | BACE1 (0.41) | CYP1A2METALDH1A1 | |
| SCHEMBL2629404 | 0.69 | BCHE (0.42) | CYP1A2METALDH1A1 | |
| SCHEMBL9797853 | 0.68 | CCNB2 (0.33) | CCNB2CDK1CCNB1CDK5CDK5R1 | |
| SCHEMBL18530908 | 0.68 | CCNB2 (0.37) | CYP1A2CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL14644342 | 0.68 | MET (0.33) | METCCNB2CDK1CCNB1CDK5 | |
| SCHEMBL14200141 | 0.67 | KDM4E (0.35) | CYP1A2CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL12910655 | 0.66 | CYP1A2 (0.40) | CYP1A2CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL14200138 | 0.65 | KDM4E (0.34) | CYP1A2CCNB2CDK1CCNB1CDK5 | |
| SCHEMBL22057563 | 0.64 | ALDH1A1 (0.47) | CYP1A2ALDH1A1 |
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-3960733-B1 | BENZOCARBAZOLE-BASED COMPOUNDS AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THEM | LG CHEMICAL LTD (KR) | 2023-08-09 | — | — | EP | disclosed |