Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | MLNR | O43193 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24027917 | 0.90 | PDK2 (0.39) | PDK2ACHEBCHENOX1HPGD | |
| SCHEMBL19001688 | 0.86 | PDK2 (0.47) | PDK2PTGESALDH1A1AKR1A1AKR1B1 | |
| SCHEMBL23697040 | 0.84 | PDK2 (0.47) | PDK2ACHEBCHENOX1L3MBTL1 | |
| SCHEMBL21517232 | 0.82 | PDK2 (0.40) | PDK2ACHEBCHENOX1HPGD | |
| SCHEMBL19728551 | 0.82 | PDK2 (0.43) | PDK2PTGESALDH1A1AKR1A1AKR1B1 | |
| SCHEMBL22891491 | 0.81 | PDK2 (0.47) | PDK2ACHEBCHENOX1HPGD | |
| SCHEMBL20687337 | 0.80 | PDK2 (0.43) | PDK2AKR1A1AKR1B1CYP1A2 | |
| SCHEMBL19001693 | 0.80 | PDK2 (0.42) | PDK2PTGESALDH1A1AKR1A1AKR1B1 | |
| SCHEMBL20687343 | 0.80 | PDK2 (0.38) | PDK2PTGESAKR1A1AKR1B1 | |
| SCHEMBL20687341 | 0.80 | PDK2 (0.41) | PDK2PTGESAKR1A1AKR1B1 |
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-2019172699-A1 | COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2019-09-12 | — | — | WO | disclosed |