Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.53 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.53 |
| ▸ | PPARG | P37231 | 5/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11605622 | 0.84 | PPARG (0.60) | CYSLTR2CYSLTR1PPARGLMNAMEN1 | |
| SCHEMBL9214705 | 0.84 | LMNA (0.61) | CYSLTR2CYSLTR1PPARGLMNAMEN1 | |
| SCHEMBL9414549 | 0.81 | CYSLTR2 (0.52) | CYSLTR2CYSLTR1PPARGLMNAMEN1 | |
| SCHEMBL8798050 | 0.81 | PPARG (0.54) | CYSLTR2CYSLTR1PPARGLMNAMEN1 | |
| SCHEMBL29033404 | 0.81 | PPARG (0.58) | CYSLTR2CYSLTR1PPARGLMNAMEN1 | |
| SCHEMBL31511214 | 0.81 | ALDH1A1 (0.52) | MAPTKMT2AL3MBTL1CYP1A2CYP2C19 | |
| SCHEMBL2245919 | 0.81 | LMNA (0.62) | CYSLTR2CYSLTR1LMNAMEN1NR1I2 | |
| SCHEMBL9394792 | 0.81 | LMNA (0.62) | CYSLTR2CYSLTR1LMNAMEN1NR1I2 | |
| SCHEMBL9387360 | 0.81 | LMNA (0.62) | CYSLTR2CYSLTR1LMNAMEN1NR1I2 | |
| SCHEMBL1964196 | 0.81 | LMNA (0.62) | CYSLTR2CYSLTR1LMNAMEN1NR1I2 |
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-110655539-B | Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation | 四川大学 | 2021-11-12 | — | — | CN | disclosed |
| CN-110655539-A | Method for synthesizing cis-difluoromethylcyclohexane derivatives and heterocyclic compounds by hydrogenation | 四川大学 | 2020-01-07 | — | — | CN | disclosed |