Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.31 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22042745 | 1.00 | CYP1A1 (0.32) | CYP1A1CYP1B1CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL29635362 | 0.83 | MAPT (0.46) | CYP11B2CYP11B1CYP17A1MAPT | |
| SCHEMBL29635361 | 0.83 | CYP11B1 (0.36) | CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL22042730 | 0.83 | CYP11B1 (0.36) | CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL29337496 | 0.83 | CYP17A1 (0.35) | CYP11B2CYP11B1CYP17A1 | |
| SCHEMBL30151287 | 0.83 | MAPT (0.46) | CYP11B2CYP11B1CYP17A1MAPT | |
| SCHEMBL22042714 | 0.83 | MAPT (0.46) | CYP11B2CYP11B1CYP17A1MAPT | |
| SCHEMBL30151244 | 0.82 | MAPT (0.49) | MAPT | |
| SCHEMBL22042759 | 0.82 | MAPT (0.49) | MAPT | |
| SCHEMBL24144407 | 0.80 | KDR (0.34) | — |
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-112739689-B | Fluorine-containing pyrimidine compound and method for producing same | 优迈特株式会社 | 2022-06-03 | — | — | CN | disclosed |