Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 1/20 | 0.45 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.45 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.45 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.45 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 9/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 9/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 8/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15712182 | 0.90 | ALDH1A1 (0.46) | PDK1PDK2PDK3PDK4ATAD2 | |
| SCHEMBL257149 | 0.89 | DDB1 (0.44) | PDK1PDK2PDK3PDK4ATAD2 | |
| SCHEMBL29756072 | 0.87 | ATAD2 (0.44) | PDK1PDK2PDK3PDK4ATAD2 | |
| SCHEMBL257551 | 0.84 | MAPT (0.47) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL28406633 | 0.82 | ATAD2 (0.41) | PDK1PDK2PDK3PDK4ATAD2 | |
| SCHEMBL12283585 | 0.79 | ALDH1A1 (0.49) | ATAD2ALDH1A1GAAMAPTKMT2A | |
| SCHEMBL29973320 | 0.79 | ALDH1A1 (0.49) | ATAD2ALDH1A1GAAMAPTKMT2A | |
| SCHEMBL23346736 | 0.76 | PDK1 (0.46) | PDK1PDK2PDK3PDK4ATAD2 | |
| SCHEMBL30464716 | 0.76 | ALDH1A1 (0.58) | PDK1PDK2PDK3PDK4ATAD2 | |
| SCHEMBL1453685 | 0.76 | ALDH1A1 (0.58) | PDK1PDK2PDK3PDK4ATAD2 |
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-2012029763-A1 | DIAMINE, POLYIMIDE PRECURSOR, POLYIMIDE, LIQUID-CRYSTAL ALIGNMENT MATERIAL, LIQUID-CRYSTAL ALIGNMENT FILM, AND LIQUID-CRYSTAL DISPLAY ELEMENT | 日産化学工業株式会社 (JP) | 2012-03-08 | — | — | WO | disclosed |