Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | XIAP | P98170 | 1/20 | 0.44 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.44 |
| ▸ | CPA3 | P15088 | 3/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | CPA1 | P15085 | 6/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | CPB1 | P15086 | 1/20 | 0.41 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.41 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29131299 | 1.00 | CYP1A2 (0.47) | CYP1A2CES2CES1ALPIPKM | |
| SCHEMBL10804715 | 0.82 | CYP1A2 (0.45) | CYP1A2CES2CES1ALPIPKM | |
| SCHEMBL10805190 | 0.79 | CYP1A2 (0.42) | CYP1A2CES2CES1ALPIPKM | |
| SCHEMBL29131288 | 0.78 | MMP8 (0.48) | HSD17B10 | |
| SCHEMBL29131350 | 0.78 | MMP8 (0.48) | HSD17B10 | |
| SCHEMBL10256504 | 0.74 | CES1 (0.50) | CYP1A2CES2CES1ALPIPKM | |
| SCHEMBL11414552 | 0.73 | CPA1 (0.44) | CES2CES1ALPIPKMPTGS1 | |
| Acetone SCHEMBL26919912 | 0.72 | CES2 (0.48) | CYP1A2CES2CES1ALPIPKM | |
| SCHEMBL14215516 | 0.72 | APAF1 (0.40) | CYP1A2CES2CES1ALPIPKM | |
| SCHEMBL29525090 | 0.72 | SLC7A5 (0.55) | CYP1A2CES2CES1ALPIPKM |
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-117303992-A | Preparation method of polyfunctional group substituted chiral sulfoxide compound | 厦门大学 | 2023-12-29 | — | — | CN | disclosed |