Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYSLTR1 | Q9Y271 | 6/20 | 0.45 |
| ▸ | CYSLTR2 | Q9NS75 | 4/20 | 0.45 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.42 |
| ▸ | USP9X | Q93008 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29858135 | 1.00 | CYP1A2 (0.47) | CYP1A2CYSLTR1CYSLTR2ALOX5APSIRT2 | |
| SCHEMBL21467676 | 1.00 | CYP1A2 (0.47) | CYP1A2CYSLTR1CYSLTR2ALOX5APSIRT2 | |
| SCHEMBL29858159 | 0.89 | KMT2A (0.49) | CYP1A2CYSLTR1CYSLTR2SIRT2GPBAR1 | |
| SCHEMBL21467795 | 0.89 | KMT2A (0.49) | CYP1A2CYSLTR1CYSLTR2SIRT2GPBAR1 | |
| SCHEMBL28824795 | 0.89 | KMT2A (0.49) | CYP1A2CYSLTR1CYSLTR2SIRT2GPBAR1 | |
| SCHEMBL29858176 | 0.88 | GABRB1 (0.45) | CYP1A2CYSLTR1CYSLTR2ALOX5APGAA | |
| SCHEMBL19407482 | 0.88 | GABRB1 (0.45) | CYP1A2CYSLTR1CYSLTR2ALOX5APGAA | |
| SCHEMBL28824776 | 0.88 | GABRB1 (0.45) | CYP1A2CYSLTR1CYSLTR2ALOX5APGAA | |
| SCHEMBL28824792 | 0.87 | CYP1A2 (0.45) | CYP1A2CYSLTR1CYSLTR2SIRT2 | |
| SCHEMBL29858123 | 0.87 | CYP1A2 (0.45) | CYP1A2CYSLTR1CYSLTR2SIRT2 |
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-109563045-B | Pd (II) -catalysed enantioselective beta-methylene C (sp) 3 ) -H bond activation | 斯克里普斯研究学院 | 2022-08-23 | — | — | CN | disclosed |