Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K7 | O14733 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 5/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL1136800 | 0.85 | HTT (0.54) | MAP2K7POLBALDH1A1CLK1CLK4 | |
| SCHEMBL29192688 | 0.79 | MAP2K7 (0.44) | MAP2K7POLBALDH1A1CLK4CYP1A2 | |
| SCHEMBL20563545 | 0.77 | GALR3 (0.55) | MAP2K7POLBALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL30792466 | 0.77 | CYP1A2 (0.47) | POLBKDM4EALDH1A1HPGDCLK4 | |
| SCHEMBL29192721 | 0.77 | CYP1A2 (0.47) | POLBKDM4EALDH1A1HPGDCLK4 | |
| SCHEMBL29836457 | 0.76 | CYP1A2 (0.64) | KDM4EALDH1A1HPGDCLK4CYP1A2 | |
| SCHEMBL1666072 | 0.76 | CYP1A2 (0.64) | KDM4EALDH1A1HPGDCLK4CYP1A2 | |
| SCHEMBL3948180 | 0.75 | CYP1A2 (0.48) | POLBKDM4EALDH1A1CLK4CYP1A2 | |
| SCHEMBL23291926 | 0.75 | ALDH1A1 (0.52) | MAP2K7ALDH1A1HPGDCLK4CYP1A2 | |
| SCHEMBL18703778 | 0.74 | WNT3A (0.54) | POLBMEN1KMT2ANOS2 |
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-114516841-A | N-aryloxy/sulfur benzyl difluoromethyl pyrimidinamine compound and preparation method and application thereof | 湖南海利常德农药化工有限公司 | 2022-05-20 | — | — | CN | disclosed |