Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 10/20 | 0.48 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19618805 | 0.82 | PDK2 (0.46) | PDK2MLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL29469450 | 0.81 | PDK2 (0.54) | PDK2MLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL29371626 | 0.81 | PDK2 (0.54) | PDK2MLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL24408 | 0.81 | PDK2 (0.54) | PDK2MLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL19216963 | 0.79 | PDK2 (0.49) | PDK2HRH3IDH1 | |
| SCHEMBL1753743 | 0.79 | PDK2 (0.44) | PDK2MAPK1 | |
| SCHEMBL29664880 | 0.79 | PDK2 (0.44) | PDK2MAPK1 | |
| SCHEMBL14174206 | 0.78 | PDK2 (0.51) | PDK2MLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL24162744 | 0.77 | PDK2 (0.43) | PDK2MLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL21436406 | 0.77 | PDK2 (0.50) | PDK2MLNRNR1I2CHRM2ADRB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109896965-B | Novel compound and organic light emitting device comprising the same | 东进世美肯株式会社 | 2023-08-29 | — | — | CN | disclosed |
| CN-112851530-B | Hole transport material and organic electroluminescent device containing same | 南京高光半导体材料有限公司 | 2023-08-08 | — | — | CN | disclosed |