Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.35 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.31 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.31 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL19001983 | 0.91 | PDK2 (0.46) | PDK2ALDH1A1MAPK1CA1CA2 | |
| SCHEMBL19299617 | 0.89 | PDK2 (0.39) | PDK2ALDH1A1MAPK1CRHBPCRHR2 | |
| SCHEMBL19001905 | 0.88 | PDK2 (0.44) | PDK2ALDH1A1MAPK1PTGER1PTGER4 | |
| SCHEMBL19299404 | 0.86 | PDK2 (0.41) | PDK2ALDH1A1MAPK1 | |
| SCHEMBL19001985 | 0.84 | PDK2 (0.43) | PDK2ALDH1A1MAPK1THRB | |
| SCHEMBL15840172 | 0.84 | PDK2 (0.46) | PDK2ALDH1A1MAPK1THRB | |
| SCHEMBL15840175 | 0.84 | PDK2 (0.46) | PDK2ALDH1A1MAPK1THRB | |
| SCHEMBL19001861 | 0.84 | PDK2 (0.43) | PDK2ALDH1A1MAPK1CRHBPCRHR2 | |
| SCHEMBL19001702 | 0.84 | PDK2 (0.46) | PDK2ALDH1A1MAPK1THRB | |
| SCHEMBL16810777 | 0.83 | PDK2 (0.42) | PDK2ALDH1A1MAPK1 |
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 |