Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.40 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | TDP2 | O95551 | 3/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.31 |
| ▸ | BCL2 | P10415 | 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 | |
|---|---|---|---|---|
| SCHEMBL4409974 | 1.00 | PDK2 (0.40) | PDK2S100A4AKR1A1AKR1B1CA1 | |
| SCHEMBL6294129 | 1.00 | PDK2 (0.40) | PDK2S100A4AKR1A1AKR1B1CA1 | |
| SCHEMBL808025 | 0.91 | PDK2 (0.49) | PDK2S100A4AKR1A1AKR1B1TDP2 | |
| SCHEMBL15138225 | 0.91 | PDK2 (0.49) | PDK2S100A4AKR1A1AKR1B1TDP2 | |
| SCHEMBL6864497 | 0.87 | TDP2 (0.41) | TDP2 | |
| SCHEMBL29404184 | 0.87 | PDK2 (0.47) | PDK2S100A4AKR1A1AKR1B1CA1 | |
| SCHEMBL437007 | 0.87 | PDK2 (0.47) | PDK2S100A4AKR1A1AKR1B1CA1 | |
| SCHEMBL15138218 | 0.86 | PDK2 (0.41) | PDK2AKR1A1AKR1B1PTPRC | |
| SCHEMBL30113034 | 0.84 | PDK2 (0.38) | PDK2S100A4AKR1A1AKR1B1CA1 | |
| SCHEMBL10020319 | 0.84 | PDK2 (0.38) | PDK2S100A4AKR1A1AKR1B1CA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2015049031-A1 | HOLE TRANSPORT MATERIAL | MERCK PATENT GMBH (DE) | 2015-04-09 | — | — | WO | disclosed |