Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
| ▸ | MITF | O75030 | 1/20 | 0.45 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL3987787 | 0.83 | HPGD (0.51) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL3047898 | 0.80 | CYP1A2 (0.62) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL143457 | 0.80 | MTNR1A (0.49) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL1306449 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL1823898 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL6176844 | 0.79 | CYP1A2 (0.52) | CYP1A2CYP2C19CYP2C9CYP2D6NQO2 | |
| SCHEMBL3985376 | 0.79 | HPGD (0.48) | MTNR1ANQO2 | |
| SCHEMBL28999495 | 0.77 | MTNR1A (0.46) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL2900719 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A | |
| SCHEMBL27450399 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP2C9CYP2D6MTNR1A |
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-104592181-B | 2-fluorine polysubstituted 4H-pyran derivate and preparation method thereof | 华东师范大学 | 2016-08-24 | — | — | CN | disclosed |