Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 4/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4827644 | 0.87 | CNR2 (0.53) | CASP3BACE1CNR2CYP2C8CNR1 | |
| SCHEMBL4827642 | 0.87 | CNR2 (0.53) | CASP3BACE1CNR2CYP2C8CNR1 | |
| SCHEMBL77428 | 0.86 | CASP3 (0.41) | CASP3CNR2CYP2C8CNR1CYP2C19 | |
| SCHEMBL5264109 | 0.86 | CASP3 (0.41) | CASP3CNR2CYP2C8CNR1CYP2C19 | |
| SCHEMBL21050341 | 0.83 | BACE1 (0.43) | BACE1POLBCNR2CYP2C8CNR1 | |
| SCHEMBL30271298 | 0.83 | CNR2 (0.40) | CASP3POLBCNR2CYP2C8CNR1 | |
| SCHEMBL4714684 | 0.82 | MAPT (0.53) | CASP3POLBCYP2C19CYP2C9 | |
| SCHEMBL13244526 | 0.78 | CNR2 (0.40) | CASP3BACE1CNR2CYP2C8CNR1 | |
| SCHEMBL13244509 | 0.78 | CNR2 (0.40) | CASP3BACE1CNR2CYP2C8CNR1 | |
| SCHEMBL6161182 | 0.77 | GPR119 (0.41) | CASP3BACE1 |
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-109824465-B | Method for synthesizing amide by amine oxide catalyzed by bipyridine manganese catalyst | 陕西师范大学 | 2022-01-04 | — | — | CN | disclosed |
| CN-109824465-A | A kind of method of bipyridyliums Mn catalyst catalysis oxidation amine synthesizing amide | 陕西师范大学 | 2019-05-31 | — | — | CN | disclosed |