Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.32 |
| ▸ | RARG | P13631 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL19001861 | 0.93 | PDK2 (0.43) | PDK2ALDH1A1MAPK1KDM4EMEN1 | |
| SCHEMBL19001701 | 0.91 | PDK2 (0.42) | PDK2ALDH1A1MAPK1RARBRARG | |
| SCHEMBL16810777 | 0.86 | PDK2 (0.42) | PDK2ALDH1A1MAPK1 | |
| SCHEMBL16810810 | 0.86 | PDK2 (0.42) | PDK2ALDH1A1MAPK1 | |
| SCHEMBL23222599 | 0.85 | PDK2 (0.46) | PDK2ALDH1A1MAPK1MAPTSMN1; SMN2 | |
| SCHEMBL19001863 | 0.85 | PDK2 (0.49) | PDK2ALDH1A1MAPK1MAPTSMN1; SMN2 | |
| SCHEMBL15840175 | 0.84 | PDK2 (0.46) | PDK2ALDH1A1MAPK1MEN1LMNA | |
| SCHEMBL15840172 | 0.84 | PDK2 (0.46) | PDK2ALDH1A1MAPK1MEN1LMNA | |
| SCHEMBL19001702 | 0.84 | PDK2 (0.46) | PDK2ALDH1A1MAPK1MEN1LMNA | |
| SCHEMBL29484645 | 0.83 | PDK2 (0.56) | PDK2ALDH1A1MAPK1KDM4EMEN1 |
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 |