Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 10/20 | 0.51 |
| ▸ | AKR1C2 | P52895 | 10/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL147211 | 0.96 | SMN1; SMN2 (0.54) | SMN1; SMN2AKR1C3AKR1C2ALDH1A1KDM4E | |
| Nitrogen SCHEMBL8706863 | 0.86 | PARP1 (0.51) | SMN1; SMN2ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL31498494 | 0.84 | ALDH1A1 (0.45) | SMN1; SMN2AKR1C3AKR1C2ALDH1A1KDM4E | |
| SCHEMBL9929149 | 0.83 | NPC1 (0.63) | SMN1; SMN2ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL5192082 | 0.83 | PPM1B (0.61) | SMN1; SMN2AKR1C3AKR1C2ALDH1A1KDM4E | |
| SCHEMBL29380973 | 0.81 | SMN1; SMN2 (0.59) | SMN1; SMN2AKR1C3AKR1C2ALDH1A1KDM4E | |
| SCHEMBL312677 | 0.81 | ALDH1A1 (0.65) | SMN1; SMN2ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL27720018 | 0.81 | SMN1; SMN2 (0.59) | SMN1; SMN2AKR1C3AKR1C2ALDH1A1KDM4E | |
| SCHEMBL148855 | 0.81 | ALDH1A1 (0.53) | SMN1; SMN2ALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL29976235 | 0.81 | ALDH1A1 (0.65) | SMN1; SMN2ALDH1A1KDM4EMEN1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113651760-B | Pyrimidine selenobenzoic acid derivative, preparation method thereof and application of pyrimidine selenobenzoic acid derivative as herbicide | 常州大学 | 2023-07-25 | — | — | CN | disclosed |
| CN-113651760-A | Pyrimidine selenium benzoic acid derivative, preparation method thereof and application of pyrimidine selenium benzoic acid derivative as herbicide | 常州大学 | 2021-11-16 | — | — | CN | disclosed |