Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | FABP4 | P15090 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL19001698 | 0.91 | PDK2 (0.42) | PDK2MAPK1ALDH1A1THRBTDP1 | |
| SCHEMBL19298906 | 0.88 | PDK2 (0.42) | PDK2MAPK1ALDH1A1 | |
| SCHEMBL20687347 | 0.88 | PDK2 (0.40) | PDK2MAPK1ALDH1A1TDP1L3MBTL1 | |
| SCHEMBL19001697 | 0.87 | MAPK1 (0.46) | PDK2MAPK1ALDH1A1THRBTDP1 | |
| SCHEMBL19001863 | 0.87 | PDK2 (0.49) | PDK2MAPK1ALDH1A1THRBTDP1 | |
| SCHEMBL19299617 | 0.86 | PDK2 (0.39) | PDK2MAPK1ALDH1A1 | |
| SCHEMBL19299404 | 0.86 | PDK2 (0.41) | PDK2MAPK1ALDH1A1MEN1KMT2A | |
| SCHEMBL29484645 | 0.84 | PDK2 (0.56) | PDK2MAPK1ALDH1A1THRBTDP1 | |
| SCHEMBL10053123 | 0.84 | PDK2 (0.56) | PDK2MAPK1ALDH1A1THRBTDP1 | |
| SCHEMBL25818400 | 0.84 | THRB (0.43) | PDK2MAPK1ALDH1A1THRBTDP1 |
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 |