Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC9A1 | P19634 | 20/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 9/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL400977 | 0.83 | SLC9A1 (0.56) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL17134229 | 0.79 | SLC9A1 (0.55) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL30439790 | 0.79 | SLC9A1 (0.55) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL31188362 | 0.77 | SLC9A1 (0.50) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL3902326 | 0.75 | RBP4 (0.60) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL28837784 | 0.75 | SLC9A1 (0.55) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL18922170 | 0.74 | DDR1 (0.51) | — | |
| SCHEMBL28051707 | 0.74 | TAS1R3 (0.47) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL31701697 | 0.73 | SLC9A1 (0.54) | SLC9A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL3314851 | 0.73 | EML4 (0.51) | SLC9A1CYP2C9 |
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-105745192-A | Substituted phenylalanine derivatives | 拜耳制药股份公司 | 2016-07-06 | — | — | CN | disclosed |