Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | BCHE | P06276 | 3/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 4/20 | 0.42 |
| ▸ | KLK5 | Q9Y337 | 3/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TACR2 | P21452 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19976434 | 0.91 | TSHR (0.52) | ALDH1A1BCHESLC6A2LMNATSHR | |
| SCHEMBL19976424 | 0.90 | TSHR (0.51) | ALDH1A1BCHESLC6A2LMNATSHR | |
| SCHEMBL22710223 | 0.88 | ALDH1A1 (0.47) | ALDH1A1BCHESLC6A2KLK7KLK5 | |
| SCHEMBL22582956 | 0.87 | BCHE (0.45) | BCHESLC6A2KLK7KLK5ACHE | |
| SCHEMBL26354126 | 0.87 | ALDH1A1 (0.46) | ALDH1A1BCHESLC6A2LMNATSHR | |
| SCHEMBL29913862 | 0.85 | BCHE (0.46) | ALDH1A1BCHESLC6A2KLK7KLK5 | |
| SCHEMBL27304127 | 0.85 | TDP1 (0.46) | BCHESLC6A2ACHE | |
| SCHEMBL19980839 | 0.84 | BCHE (0.47) | BCHESLC6A2KLK7KLK5ACHE | |
| SCHEMBL27301322 | 0.84 | ALDH1A1 (0.46) | ALDH1A1BCHESLC6A2LMNATSHR | |
| SCHEMBL27304125 | 0.84 | ALDH1A1 (0.46) | ALDH1A1BCHESLC6A2LMNATSHR |
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-110066302-B | Glucopyranosyl derivative and use thereof | 广东东阳光药业有限公司 | 2022-12-27 | — | — | CN | disclosed |