Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 3/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 3/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.33 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL11105536 | 0.80 | ALDH1A1 (0.39) | KDM4EALDH1A1ARPDK2PGR | |
| SCHEMBL11101464 | 0.80 | RET (0.44) | KDM4EALDH1A1ARSLC6A2SLC6A4 | |
| SCHEMBL11109865 | 0.80 | MAOB (0.45) | KDM4EALDH1A1ARNR3C1AXL | |
| SCHEMBL18705382 | 0.77 | S100A4 (0.41) | KDM4EALDH1A1ARMEN1KMT2A | |
| SCHEMBL2532868 | 0.77 | S100A4 (0.41) | KDM4EALDH1A1ARMEN1KMT2A | |
| SCHEMBL11111994 | 0.76 | DNMT3B (0.42) | KDM4EALDH1A1ARMEN1KMT2A | |
| SCHEMBL18705352 | 0.74 | METAP1 (0.33) | ARPDK2MAPK1PGREDNRB | |
| SCHEMBL31478101 | 0.73 | SLC6A2 (0.46) | ARSLC6A2SLC6A4SLC6A3PDK2 | |
| SCHEMBL22336275 | 0.73 | HTR2B (0.47) | KDM4EALDH1A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL30441120 | 0.73 | HTR2B (0.47) | KDM4EALDH1A1SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3345984-B1 | COMPOUNDS AND ORGANIC ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2020-03-04 | — | — | EP | disclosed |