Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | METAP2 | P50579 | 3/20 | 0.38 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | PRKCB | P05771 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19061240 | 0.96 | PDK2 (0.40) | PDK2CYP1A2METAP2MDM2GFER | |
| SCHEMBL19061501 | 0.94 | PDK2 (0.41) | PDK2CYP1A2METAP2MDM2GFER | |
| SCHEMBL19061802 | 0.94 | CYP1A2 (0.39) | PDK2CYP1A2METAP2MDM2GFER | |
| SCHEMBL17427720 | 0.93 | CYP1A2 (0.38) | PDK2CYP1A2METAP2MDM2GFER | |
| SCHEMBL19061315 | 0.91 | PDK2 (0.40) | PDK2CYP1A2METAP2MDM2GFER | |
| SCHEMBL19061284 | 0.90 | PDK2 (0.40) | PDK2CYP1A2METAP2MDM2GFER | |
| SCHEMBL18086166 | 0.88 | L3MBTL1 (0.43) | PDK2HTTMAPT | |
| SCHEMBL19061337 | 0.88 | PDK2 (0.39) | PDK2CYP1A2METAP2MDM2GFER | |
| SCHEMBL19061533 | 0.88 | CYP1A2 (0.39) | PDK2CYP1A2METAP2MDM2GFER | |
| SCHEMBL17194519 | 0.86 | GFER (0.34) | PDK2CYP1A2METAP2MDM2GFER |
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-2017111389-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE INCLUDING SAME | 주식회사 두산 | 2017-06-29 | — | — | WO | disclosed |