Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 15/20 | 0.62 |
| ▸ | NMT1 | P30419 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | NMT2 | O60551 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30254805 | 1.00 | GPBAR1 (0.62) | GPBAR1NMT1MAOBNMT2PTGS2 | |
| SCHEMBL28561390 | 0.85 | GPBAR1 (0.48) | GPBAR1NMT1MAOBNMT2PTGS2 | |
| SCHEMBL24470811 | 0.80 | MAOB (0.60) | NMT1MAOBNMT2 | |
| SCHEMBL30569409 | 0.80 | MAOB (0.60) | NMT1MAOBNMT2 | |
| SCHEMBL28561020 | 0.80 | GPBAR1 (0.82) | GPBAR1 | |
| SCHEMBL28555064 | 0.78 | GPBAR1 (0.79) | GPBAR1 | |
| SCHEMBL28572228 | 0.78 | GPBAR1 (0.74) | GPBAR1 | |
| SCHEMBL28566927 | 0.77 | GPBAR1 (0.78) | GPBAR1 | |
| SCHEMBL30254934 | 0.77 | GPBAR1 (1.00) | GPBAR1 | |
| SCHEMBL28572107 | 0.77 | GPBAR1 (1.00) | GPBAR1 |
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-112794844-B | Ester compound, preparation method and application thereof, and ester soft medicine | 中国科学院上海药物研究所 | 2023-03-21 | — | — | CN | disclosed |
| CN-112794844-A | Ester compound, preparation method and application thereof, and ester soft medicine | 中国科学院上海药物研究所 | 2021-05-14 | — | — | CN | disclosed |