Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29577023 | 0.94 | GAA (0.33) | GAAKDM4EALDH1A1MAPT | |
| SCHEMBL29576826 | 0.85 | GAA (0.32) | GAAKDM4EALDH1A1MAPT | |
| SCHEMBL29576689 | 0.84 | ALDH1A1 (0.32) | GAAKDM4EALDH1A1TAAR1MAPT | |
| SCHEMBL29577987 | 0.84 | MDM2 (0.31) | GAAMAPT | |
| SCHEMBL29576676 | 0.84 | ALDH1A1 (0.38) | GAAKDM4EALDH1A1TSHRTAAR1 | |
| SCHEMBL29576842 | 0.83 | KCNQ3 (0.34) | GAAMAPT | |
| SCHEMBL29576922 | 0.83 | CTSL (0.34) | GAAKDM4EMAPT | |
| SCHEMBL29577209 | 0.83 | KCNQ3 (0.34) | GAAKDM4EMAPT | |
| SCHEMBL29576693 | 0.82 | ESR1 (0.34) | GAAKDM4EALDH1A1MAPT | |
| SCHEMBL29577153 | 0.81 | CTSL (0.35) | GAAKDM4EHTTMAPT |
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 | claimed |