Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28892272 | 0.90 | KCNQ3 (0.34) | GBA1 | |
| SCHEMBL28892256 | 0.90 | KCNQ3 (0.34) | KCNH2 | |
| SCHEMBL28892309 | 0.86 | KDM1A (0.35) | — | |
| SCHEMBL28892266 | 0.86 | MDM2 (0.34) | — | |
| SCHEMBL3025243 | 0.86 | L3MBTL1 (0.42) | ALDH1A1LMNA | |
| SCHEMBL28892260 | 0.85 | CYP1A2 (0.33) | GBA1CYP1A2ALDH1A1LMNA | |
| SCHEMBL28892254 | 0.85 | MDM2 (0.34) | ALDH1A1 | |
| SCHEMBL28892263 | 0.84 | CTSL (0.36) | ALDH1A1 | |
| SCHEMBL28892391 | 0.84 | CTSL (0.34) | ROCK2ALDH1A1LMNA | |
| SCHEMBL2893249 | 0.84 | ALDH1A1 (0.35) | ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-108558841-B | 4- (N, N-disubstituted) furan-2 (5H) -ketone derivative, preparation method and application thereof | 贵州大学 | 2022-04-12 | — | — | CN | disclosed |