Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H3 | Q13133 | 10/20 | 0.58 |
| ▸ | NR1H2 | P55055 | 6/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CASP6 | P55212 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27586782 | 0.81 | NR1H3 (0.70) | NR1H3NR1H2POLBMGLLMEN1 | |
| SCHEMBL6792489 | 0.78 | NR1H3 (0.62) | NR1H3NR1H2POLBCASP1MGLL | |
| SCHEMBL31261698 | 0.78 | NR1H3 (0.62) | NR1H3NR1H2POLBCASP1MGLL | |
| SCHEMBL9665968 | 0.78 | NR1H2 (0.62) | NR1H3NR1H2POLBCASP1MGLL | |
| SCHEMBL4649466 | 0.76 | POLB (0.65) | NR1H3NR1H2POLBCASP1ALDH1A1 | |
| SCHEMBL5274870 | 0.76 | KDM4E (0.42) | NR1H3NR1H2MGLLKDM4EALDH1A1 | |
| SCHEMBL1904159 | 0.75 | NR1H3 (0.68) | NR1H3NR1H2POLBCASP1MGLL | |
| SCHEMBL29616419 | 0.74 | NR1H3 (1.00) | NR1H3NR1H2POLBALDH1A1 | |
| SCHEMBL6690679 | 0.74 | NR1H3 (0.61) | NR1H3NR1H2POLBALDH1A1 | |
| SCHEMBL2464969 | 0.74 | NR1H3 (1.00) | NR1H3NR1H2POLBALDH1A1 |
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-114950558-B | Bipiperidine skeleton tetradentate nitrogen-containing manganese catalyst and method for catalyzing hydrocarbon molecule benzyl site selective oxidation by using same | 陕西师范大学 | 2023-08-11 | — | — | CN | disclosed |
| CN-114950558-A | Bipiperidine skeleton tetradentate nitrogen-containing manganese catalyst and method for catalyzing benzyl-site selective oxidation of hydrocarbon molecules by using same | 陕西师范大学 | 2022-08-30 | — | — | CN | disclosed |