Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 4/20 | 0.67 |
| ▸ | CTNNB1 | P35222 | 8/20 | 0.52 |
| ▸ | WNT3A | P56704 | 8/20 | 0.52 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.49 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20364676 | 0.85 | HTR1B (0.72) | HTR1BCTNNB1WNT3ATAS1R3TAS1R1 | |
| SCHEMBL1922454 | 0.83 | HTR1B (0.68) | HTR1BCTNNB1WNT3ATAS1R3TAS1R1 | |
| SCHEMBL30426970 | 0.80 | HTR1B (1.00) | HTR1BCTNNB1WNT3ATAS1R3TAS1R1 | |
| SCHEMBL24111411 | 0.80 | HTR1B (1.00) | HTR1BCTNNB1WNT3ATAS1R3TAS1R1 | |
| SCHEMBL24111407 | 0.80 | HTR1B (1.00) | HTR1BCTNNB1WNT3ATAS1R3TAS1R1 | |
| SCHEMBL24111410 | 0.80 | HTR1B (1.00) | HTR1BCTNNB1WNT3ATAS1R3TAS1R1 | |
| SCHEMBL25274410 | 0.80 | HTR1B (0.60) | HTR1BCTNNB1WNT3ATAS1R3TAS1R1 | |
| Hydrochloric Acid SCHEMBL29016975 | 0.79 | HTR1B (0.97) | HTR1BCTNNB1WNT3ATAS1R3TAS1R1 | |
| Hydrochloric Acid SCHEMBL30426890 | 0.79 | HTR1B (0.97) | HTR1BCTNNB1WNT3ATAS1R3TAS1R1 | |
| SCHEMBL29987426 | 0.78 | CTNNB1 (0.63) | HTR1BCTNNB1WNT3ATAS1R3TAS1R1 |
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-113789353-B | Preparation method of (2S, 3S) -2-chloro-3-hydroxy ester compound | 复旦大学 | 2024-03-08 | — | — | CN | disclosed |