Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 11/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CTRC | Q99895 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22797542 | 0.99 | PDK2 (0.48) | PDK2SLC6A4SLC6A3CYP1A2KDM4E | |
| SCHEMBL22799489 | 0.95 | PDK2 (0.47) | PDK2SLC6A4SLC6A3CYP1A2KDM4E | |
| SCHEMBL21037854 | 0.88 | SLC6A3 (0.44) | PDK2SLC6A4SLC6A3CYP1A2PGR | |
| SCHEMBL30805726 | 0.88 | SLC6A3 (0.44) | PDK2SLC6A4SLC6A3CYP1A2PGR | |
| SCHEMBL22799352 | 0.87 | PDK2 (0.51) | PDK2PGRSLC6A9 | |
| SCHEMBL22799356 | 0.86 | PDK2 (0.45) | PDK2PGRSLC6A9 | |
| SCHEMBL22797536 | 0.84 | PDK2 (0.40) | PDK2SLC6A4SLC6A3ALDH1A1PGR | |
| SCHEMBL19357064 | 0.84 | PDK2 (0.61) | PDK2CYP1A2 | |
| SCHEMBL22797543 | 0.83 | ENPP3 (0.39) | PDK2SLC6A4SLC6A3 | |
| SCHEMBL824181 | 0.82 | PDK2 (0.47) | PDK2SLC6A4SLC6A3CYP1A2 |
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-2020248943-A1 | NITROGEN-CONTAINING COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE | 陕西莱特光电材料股份有限公司 | 2020-12-17 | — | — | WO | disclosed |