Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 6/20 | 0.38 |
| ▸ | CDK2 | P24941 | 5/20 | 0.36 |
| ▸ | LATS1 | O95835 | 1/20 | 0.36 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.36 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | SGK1 | O00141 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL761136 | 0.85 | KIF11 (0.45) | CYP19A1IMPDH2CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL29963616 | 0.85 | KIF11 (0.49) | CYP19A1ROCK2AKT1CDK2KIF11 | |
| SCHEMBL11139756 | 0.85 | KIF11 (0.49) | CYP19A1ROCK2AKT1CDK2KIF11 | |
| SCHEMBL29013935 | 0.81 | CYP19A1 (0.40) | CYP19A1ROCK2IMPDH2CYP3A4CYP2D6 | |
| SCHEMBL25054156 | 0.79 | CYP19A1 (0.38) | CYP19A1ROCK2IMPDH2CYP3A4CYP2D6 | |
| SCHEMBL10288868 | 0.79 | TRPV1 (0.43) | CYP19A1ROCK2IMPDH2CYP3A4CYP2D6 | |
| SCHEMBL31478776 | 0.77 | KIF11 (0.49) | CYP19A1ROCK2KCNH2AKT1CDK2 | |
| SCHEMBL2627057 | 0.77 | PRKCZ (0.46) | CYP19A1CYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL9998096 | 0.77 | KIF11 (0.49) | CYP19A1ROCK2KCNH2AKT1CDK2 | |
| SCHEMBL23386421 | 0.76 | CNR1 (0.42) | CYP19A1ROCK2IMPDH2CYP3A4CYP2D6 |
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-110872206-A | Reduction coupling method for synthesizing 1, 1-difluoroethyl aromatic compound | 山东理工大学 | 2020-03-10 | — | — | CN | disclosed |