Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.45 |
| ▸ | ESR1 | P03372 | 7/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.34 |
| ▸ | TTR | P02766 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | TYR | P14679 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL618638 | 1.00 | ESR2 (0.45) | ESR2ESR1MAOAMAOBUGT1A1 | |
| SCHEMBL4499443 | 0.83 | PTPRC (0.46) | ESR2ESR1MAOAMAOBUGT1A1 | |
| SCHEMBL481795 | 0.75 | S100A4 (0.45) | ESR2ESR1MAOAMAOBCA1 | |
| SCHEMBL148818 | 0.75 | MAOA (0.42) | MAOAMAOBCA1CA2CA7 | |
| SCHEMBL15284506 | 0.75 | CA1 (0.38) | CA1CA2CA7CA9PARP1 | |
| SCHEMBL18939906 | 0.75 | — | — | |
| SCHEMBL1162921 | 0.75 | NPC1 (0.41) | CA9PTPRCDYRK1APARP1 | |
| SCHEMBL30503673 | 0.75 | CHEK1 (0.38) | MAOACA1CA2CA7CA9 | |
| SCHEMBL3484736 | 0.71 | CA1 (0.43) | CA1CA2CA7CA9TRPA1 | |
| SCHEMBL18986837 | 0.71 | ALDH1A1 (0.38) | MAOAMAOB |
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-113563245-B | Substituted pyrrolidines and their use in medicine | 广东东阳光药业股份有限公司 | 2024-10-15 | — | — | CN | disclosed |