Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.36 |
| ▸ | PGR | P06401 | 4/20 | 0.36 |
| ▸ | DRD1 | P21728 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | MLNR | O43193 | 1/20 | 0.30 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.30 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL20934083 | 0.96 | AHR (0.50) | AHRPDK2PGRDRD1ATM | |
| SCHEMBL20934246 | 0.86 | AHR (0.38) | AHRPGRDRD1ATMMLNR | |
| SCHEMBL20934046 | 0.81 | AHR (0.46) | AHRPDK2PGRDRD2HRH1 | |
| SCHEMBL20933259 | 0.81 | AHR (0.49) | AHRPDK2 | |
| SCHEMBL20933258 | 0.81 | AHR (0.46) | AHRPDK2PGRDRD2HRH1 | |
| SCHEMBL31591201 | 0.78 | PDK2 (0.54) | PDK2PGRDRD1MLNRNR1I2 | |
| SCHEMBL19849934 | 0.78 | PDK2 (0.54) | PDK2PGRDRD1MLNRNR1I2 | |
| SCHEMBL20933781 | 0.78 | LPL (0.31) | DRD1 | |
| SCHEMBL20933688 | 0.77 | AHR (0.47) | AHRPDK2ATM | |
| SCHEMBL20933122 | 0.77 | PDK2 (0.33) | PDK2DRD1 |
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-2019078461-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2019-04-25 | — | — | WO | disclosed |