Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | HK2 | P52789 | 1/20 | 0.31 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL5887297 | 0.78 | NPC1 (0.38) | MAPTBACE1MEN1KMT2A | |
| Ethane SCHEMBL27743200 | 0.74 | PDE4B (0.32) | PDE4B | |
| SCHEMBL10401569 | 0.69 | KIF11 (0.36) | ALDH1A1BACE1TSHR | |
| SCHEMBL31497105 | 0.66 | ALDH1A1 (0.47) | MAPTALDH1A1HTTBACE1PTPN1 | |
| SCHEMBL14723151 | 0.66 | BACE1 (0.34) | PDE4BMAPTALDH1A1HTTBACE1 | |
| SCHEMBL5887271 | 0.64 | ACHE (0.47) | MAPTNPSR1BACE1MEN1KMT2A | |
| Ethane SCHEMBL27811114 | 0.63 | — | — | |
| SCHEMBL19553742 | 0.60 | PDE4B (0.44) | PDE4BMAPTMITFALDH1A1HTT | |
| SCHEMBL7714880 | 0.60 | BACE1 (0.58) | MAPTALDH1A1NPSR1BACE1CA4 | |
| SCHEMBL14663755 | 0.60 | KMT2A (0.42) | PDE4BALDH1A1BACE1KMT2A |
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-2005123682-A1 | METHOD FOR THE PRODUCTION OF 5-ARYL NICOTINALDEHYDES | MERCK PATENT GMBH (DE) | 2005-12-29 | — | — | WO | disclosed |