Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.44 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.44 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.44 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.44 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.44 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.44 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.44 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL17865779 | 0.84 | LMNA (0.58) | LMNAHTTPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL692734 | 0.83 | LMNA (0.47) | LMNAHTTPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL10075552 | 0.83 | PRKAB2 (0.49) | LMNAHTTPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL10169241 | 0.83 | PRKAB2 (0.52) | LMNAHTTPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL14846585 | 0.80 | ROCK2 (0.54) | LMNAHTTPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL28360437 | 0.80 | LMNA (0.51) | LMNAHTT | |
| Hydrochloric Acid SCHEMBL19177763 | 0.79 | ROCK2 (0.55) | LMNAHTTPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL12591847 | 0.79 | PRKAB2 (0.49) | LMNAHTTPRKAB2PRKAG1PRKAA2 | |
| Hydrochloric Acid SCHEMBL19177762 | 0.79 | ROCK2 (0.55) | LMNAHTTPRKAB2PRKAG1PRKAA2 | |
| SCHEMBL19625786 | 0.79 | LMNA (0.50) | LMNAHTTAOC3MAOB |
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 |