Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL30575454 | 1.00 | ALDH1A1 (0.64) | ALDH1A1NR1H4RAB9AL3MBTL1TSHR | |
| SCHEMBL28925803 | 0.87 | NR1H4 (0.71) | ALDH1A1NR1H4RAB9AL3MBTL1TSHR | |
| SCHEMBL30575481 | 0.87 | NR1H4 (0.71) | ALDH1A1NR1H4RAB9AL3MBTL1TSHR | |
| SCHEMBL28645885 | 0.86 | NR1H4 (0.67) | NR1H4RAB9AL3MBTL1TSHR | |
| SCHEMBL30575459 | 0.86 | NR1H4 (0.67) | NR1H4RAB9AL3MBTL1TSHR | |
| SCHEMBL28637984 | 0.81 | NR1H4 (0.63) | ALDH1A1NR1H4RAB9AL3MBTL1TSHR | |
| SCHEMBL30575460 | 0.81 | NR1H4 (0.63) | ALDH1A1NR1H4RAB9AL3MBTL1TSHR | |
| SCHEMBL28638516 | 0.79 | NPC1 (0.67) | ALDH1A1NR1H4RAB9AL3MBTL1TSHR | |
| SCHEMBL23420090 | 0.79 | ALDH1A1 (0.74) | ALDH1A1RAB9AL3MBTL1POLBGAA | |
| SCHEMBL28652995 | 0.78 | MEN1 (0.65) | ALDH1A1RAB9AL3MBTL1TSHRPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112812077-B | Benzamide compound, preparation method thereof, pharmaceutical composition and application | 中国科学院上海药物研究所 | 2023-08-22 | — | — | CN | disclosed |
| CN-112812077-A | Benzamide compound and preparation method, pharmaceutical composition and application thereof | 中国科学院上海药物研究所 | 2021-05-18 | — | — | CN | disclosed |