Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19089954 | 0.81 | HCAR2 (0.43) | HCAR2ALDH1A1MAPTLMNAL3MBTL1 | |
| SCHEMBL406367 | 0.78 | HCAR2 (0.50) | HCAR2ALDH1A1MAPTLMNAGAA | |
| SCHEMBL406368 | 0.78 | HCAR2 (0.50) | HCAR2ALDH1A1MAPTLMNAGAA | |
| SCHEMBL1144885 | 0.76 | HCAR2 (0.48) | HCAR2ALDH1A1MAPTLMNAL3MBTL1 | |
| SCHEMBL1144886 | 0.76 | HCAR2 (0.48) | HCAR2ALDH1A1MAPTLMNAL3MBTL1 | |
| SCHEMBL8472232 | 0.73 | HCAR2 (0.46) | HCAR2ALDH1A1MAPTLMNAGAA | |
| SCHEMBL8472227 | 0.73 | HCAR2 (0.46) | HCAR2ALDH1A1MAPTLMNAGAA | |
| SCHEMBL23883080 | 0.72 | ALDH1A1 (0.55) | HCAR2ALDH1A1MAPTLMNAL3MBTL1 | |
| SCHEMBL3310731 | 0.72 | ALDH1A1 (0.55) | HCAR2ALDH1A1MAPTLMNAL3MBTL1 | |
| SCHEMBL10073830 | 0.71 | HCAR2 (0.47) | HCAR2ALDH1A1MAPTLMNAL3MBTL1 |
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-109923113-B | Isoxazolyl ether derivatives as GABA A alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2023-10-13 | — | — | CN | disclosed |
| CN-112424196-A | Novel isoxazolyl ether derivatives as GABAA alpha 5 PAM | 豪夫迈·罗氏有限公司 | 2021-02-26 | — | — | CN | disclosed |