Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 8/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | FABP4 | P15090 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HNF4A | P41235 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.32 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23222599 | 0.97 | PDK2 (0.46) | PDK2ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL19001905 | 0.91 | PDK2 (0.44) | PDK2ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL4195471 | 0.89 | PDK2 (0.58) | PDK2ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL29603205 | 0.89 | PDK2 (0.58) | PDK2ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL19001693 | 0.87 | PDK2 (0.42) | PDK2ALDH1A1MAPK1CYP2A6 | |
| SCHEMBL16810678 | 0.87 | PDK2 (0.56) | PDK2ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL25556439 | 0.87 | THRB (0.41) | PDK2ALDH1A1MAPK1MAPTSMN1; SMN2 | |
| SCHEMBL10053123 | 0.87 | PDK2 (0.56) | PDK2ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL29484645 | 0.87 | PDK2 (0.56) | PDK2ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL19001697 | 0.87 | MAPK1 (0.46) | PDK2ALDH1A1MAPK1CA1CA2 |
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 |