Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | GSK3B | P49841 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL28727241 | 1.00 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL27973292 | 0.92 | ALDH1A1 (0.54) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL25525512 | 0.92 | ALDH1A1 (0.54) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL28727199 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL27973291 | 0.85 | POLB (0.63) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL28727127 | 0.85 | POLB (0.63) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL8694320 | 0.85 | KMT2A (0.53) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL6223072 | 0.85 | ALDH1A1 (0.48) | ALDH1A1LMNAMAPTKDM4EKMT2A | |
| SCHEMBL8697129 | 0.85 | KMT2A (0.53) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL25525517 | 0.85 | KMT2A (0.53) | ALDH1A1LMNAMAPTKDM4EHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-11661661-B2 | Method for synthesizing beta-cyano ketone compound | CHANGZHOU INSTITUTE OF TECHNOLOGY (CN) | 2023-05-30 | — | — | US | disclosed |