Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 8/20 | 0.57 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.43 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 2/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.42 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.42 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.42 |
| ▸ | PIK3CG | P48736 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20260763 | 1.00 | PDE4B (0.57) | PDE4BNR1H2ALDH1A1MEN1KMT2A | |
| SCHEMBL282618 | 0.93 | PDE4B (0.51) | PDE4BNR1H2ALDH1A1MEN1KMT2A | |
| SCHEMBL31257859 | 0.93 | PDE4B (0.51) | PDE4BNR1H2ALDH1A1MEN1KMT2A | |
| SCHEMBL1015417 | 0.86 | PDE4B (0.57) | PDE4BALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL1014743 | 0.86 | PDE4B (0.57) | PDE4BALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL1015416 | 0.86 | PDE4B (0.57) | PDE4BALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL1018705 | 0.86 | PDE4B (0.57) | PDE4BALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL30962613 | 0.86 | NR1H2 (0.49) | PDE4BNR1H2ALDH1A1MEN1KMT2A | |
| SCHEMBL15785400 | 0.85 | GPR119 (0.49) | PDE4BNR1H2KDM4EMAPTTHRB | |
| SCHEMBL5515302 | 0.84 | PDE4B (0.53) | PDE4BNR1H2ALDH1A1MEN1KMT2A |
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-2018106646-A1 | AMINOTRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2018-06-14 | — | — | WO | disclosed |