Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NLRP3 | Q96P20 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4941441 | 1.00 | THRB (0.50) | THRBTP53ALDH1A1TDP1NR1I2 | |
| SCHEMBL19281448 | 1.00 | THRB (0.50) | THRBTP53ALDH1A1TDP1NR1I2 | |
| SCHEMBL2673039 | 0.88 | THRB (0.50) | THRBTP53ALDH1A1TDP1NR1I2 | |
| SCHEMBL9211321 | 0.87 | THRB (0.55) | THRBTP53ALDH1A1TDP1CYP3A4 | |
| SCHEMBL5093716 | 0.85 | TP53 (0.59) | THRBTP53ALDH1A1TDP1NR1I2 | |
| Metolachor SCHEMBL21385 | 0.82 | ALDH1A1 (0.59) | THRBTP53ALDH1A1TDP1NR1I2 | |
| Metolachor SCHEMBL338302 | 0.82 | ALDH1A1 (0.59) | THRBTP53ALDH1A1TDP1NR1I2 | |
| S-Metolachlor SCHEMBL118065 | 0.82 | ALDH1A1 (0.59) | THRBTP53ALDH1A1TDP1NR1I2 | |
| S-Metolachlor SCHEMBL31170483 | 0.82 | ALDH1A1 (0.59) | THRBTP53ALDH1A1TDP1NR1I2 | |
| Metolachor SCHEMBL18115413 | 0.82 | ALDH1A1 (0.59) | THRBTP53ALDH1A1TDP1NR1I2 |
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-117099784-A | Pesticide composition containing diflufenican and metolachlor and application thereof | 江苏省农业科学院 | 2023-11-24 | — | — | CN | disclosed |