Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 9/20 | 0.33 |
| ▸ | RXRA | P19793 | 3/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.31 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | PLA2G7 | Q13093 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.30 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL20114149 | 0.81 | PDK2 (0.32) | PDK2 | |
| SCHEMBL20114078 | 0.78 | ALDH1A1 (0.40) | MEN1SLC6A3KMT2AMAPTNPC1 | |
| SCHEMBL29564362 | 0.76 | PDK2 (0.46) | PDK2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL806937 | 0.76 | PDK2 (0.46) | PDK2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL25937351 | 0.75 | PTPRC (0.46) | PDK2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL20114176 | 0.74 | IDO1 (0.42) | MEN1KMT2AMAPTNPC1RAB9A | |
| Toluene SCHEMBL28114367 | 0.72 | PDK2 (0.41) | PDK2PGROPRM1MAPT | |
| SCHEMBL21436406 | 0.72 | PDK2 (0.50) | PDK2HTR1AADRA2ACHRM1DRD1 | |
| SCHEMBL29338561 | 0.71 | PDK2 (0.39) | PDK2RXRAMEN1CYP26A1ABCB11 | |
| SCHEMBL805016 | 0.68 | S100A4 (0.41) | PDK2MEN1PGRKMT2AMAPT |
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-2018080067-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME | 주식회사 두산 | 2018-05-03 | — | — | WO | disclosed |