Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 4/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29364892 | 0.91 | PDK2 (0.54) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL808128 | 0.91 | PDK2 (0.54) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL29520133 | 0.89 | PDK2 (0.40) | PDK2MLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL783072 | 0.89 | PDK2 (0.40) | PDK2MLNRNR1I2CHRM2ADRB1 | |
| SCHEMBL13486730 | 0.83 | PDK2 (0.44) | PDK2 | |
| SCHEMBL20175708 | 0.82 | PDK2 (0.45) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL30038894 | 0.82 | PDK2 (0.45) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL29490148 | 0.81 | PDK2 (0.44) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL19869563 | 0.81 | PDK2 (0.44) | PDK2CA1CA2CA7CA9 | |
| SCHEMBL19869565 | 0.80 | ALDH1A1 (0.40) | PDK2MLNRNR1I2CHRM2ADRB1 |
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-3775099-A1 | MATERIALS FOR ELECTRONIC DEVICES | Merck Patent GmbH (DE) | 2021-02-17 | — | — | EP | disclosed |
| WO-2019192954-A1 | MATERIALS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2019-10-10 | — | — | WO | disclosed |