Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL30803800 | 0.93 | PDK2 (0.37) | PDK2AHRCYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL23273215 | 0.93 | PDK2 (0.37) | PDK2AHRCYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL20222319 | 0.91 | PDK2 (0.36) | PDK2AHRCYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL22337131 | 0.91 | AHR (0.35) | PDK2AHRCYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL20222320 | 0.90 | PDK2 (0.37) | PDK2AHRCYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL20222338 | 0.90 | AHR (0.33) | PDK2AHRCYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL20926267 | 0.90 | PDK2 (0.40) | PDK2CYP2A6ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL20926273 | 0.88 | CYP2A6 (0.36) | PDK2AHRCYP2A6ALDH1A1CYP1A2 | |
| SCHEMBL25883223 | 0.85 | PDK2 (0.36) | PDK2AHRCYP2A6 | |
| SCHEMBL15322285 | 0.85 | CYP2A6 (0.38) | PDK2AHRCYP2A6ALDH1A1CYP1A2 |
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-2020162703-A1 | NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-08-13 | — | — | WO | disclosed |