Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 7/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.32 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP2 | O95551 | 2/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL19299617 | 0.90 | PDK2 (0.39) | PDK2ALDH1A1MAPK1 | |
| SCHEMBL20687347 | 0.88 | PDK2 (0.40) | PDK2AKR1A1AKR1B1ALDH1A1MAPK1 | |
| SCHEMBL19299487 | 0.87 | PDK2 (0.50) | PDK2IDO1ADORA2AADORA1MEN1 | |
| SCHEMBL19298906 | 0.86 | PDK2 (0.42) | PDK2ALDH1A1MAPK1 | |
| SCHEMBL19001698 | 0.86 | PDK2 (0.42) | PDK2ALDH1A1MAPK1 | |
| SCHEMBL19001983 | 0.86 | PDK2 (0.46) | PDK2MEN1KMT2AALDH1A1MAPK1 | |
| SCHEMBL19299610 | 0.84 | PDK2 (0.38) | PDK2AKR1A1AKR1B1PGR | |
| SCHEMBL19299402 | 0.81 | PDK2 (0.45) | PDK2MEN1KMT2A | |
| SCHEMBL19208015 | 0.81 | PDK2 (0.48) | PDK2IDO1ADORA2AADORA1MEN1 | |
| SCHEMBL29871351 | 0.81 | PDK2 (0.48) | PDK2IDO1ADORA2AADORA1MEN1 |
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-3419960-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-07-01 | — | — | EP | disclosed |
| WO-2017144150-A2 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2017-08-31 | — | — | WO | disclosed |