Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 15/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | GALK1 | P51570 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26369373 | 0.94 | MAPK1 (0.45) | PDK2MAPK1ALDH1A1PTPRCLMNA | |
| SCHEMBL30823857 | 0.94 | PDK2 (0.50) | PDK2MAPK1ALDH1A1LMNAMAPT | |
| SCHEMBL14189338 | 0.94 | PDK2 (0.50) | PDK2MAPK1ALDH1A1LMNAMAPT | |
| SCHEMBL22797311 | 0.94 | MAPK1 (0.45) | PDK2MAPK1ALDH1A1PTPRCLMNA | |
| SCHEMBL26155068 | 0.94 | PDK2 (0.50) | PDK2MAPK1ALDH1A1LMNAMAPT | |
| SCHEMBL5763937 | 0.89 | PDK2 (0.46) | PDK2MAPK1ALDH1A1PTPRCLMNA | |
| SCHEMBL12781932 | 0.89 | PDK2 (0.49) | PDK2MAPK1ALDH1A1PTPRCTDP2 | |
| SCHEMBL14269410 | 0.89 | PDK2 (0.51) | PDK2PTPRC | |
| SCHEMBL6292662 | 0.89 | PDK2 (0.51) | PDK2PTPRC | |
| SCHEMBL15183712 | 0.89 | PDK2 (0.46) | PDK2MAPK1ALDH1A1TDP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3390365-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2021-04-14 | — | — | EP | disclosed |
| WO-2017102063-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-06-22 | — | — | WO | disclosed |