Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | LMNA | P02545 | 6/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 3/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27973292 | 1.00 | ALDH1A1 (0.54) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL28727199 | 0.94 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL27973291 | 0.92 | POLB (0.63) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL25525550 | 0.92 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL28727127 | 0.92 | POLB (0.63) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL28727241 | 0.92 | ALDH1A1 (0.49) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL25525517 | 0.92 | KMT2A (0.53) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL8697129 | 0.92 | KMT2A (0.53) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL8694320 | 0.92 | KMT2A (0.53) | ALDH1A1LMNAMAPTKDM4EHTT | |
| SCHEMBL28938717 | 0.91 | CYP2C19 (0.49) | 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 |