Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | MAT2A | P31153 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30259771 | 0.84 | ESR2 (0.41) | ESR2BACE1CNR2HRH3KCNH2 | |
| SCHEMBL29967129 | 0.76 | TDP1 (0.53) | TDP1ALDH1A1 | |
| SCHEMBL3573770 | 0.76 | TDP1 (0.53) | ESR2BACE1TDP1ALDH1A1KCNH2 | |
| SCHEMBL4698273 | 0.70 | ALDH1A1 (0.53) | ALDH1A1 | |
| SCHEMBL23752821 | 0.69 | ESR2 (0.45) | ESR2BACE1ALDH1A1 | |
| SCHEMBL31414605 | 0.69 | ESR2 (0.45) | ESR2BACE1TDP1HRH3KCNH2 | |
| SCHEMBL3580981 | 0.69 | ESR2 (0.45) | ESR2BACE1TDP1HRH3 | |
| SCHEMBL1688373 | 0.69 | CYP2A6 (0.43) | ESR2BACE1TDP1ALDH1A1KCNH2 | |
| SCHEMBL9669203 | 0.69 | CYP2A6 (0.54) | TDP1ALDH1A1 | |
| SCHEMBL20238499 | 0.66 | ESR2 (0.49) | ESR2TDP1KCNH2SLC6A4 |
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-114014869-B | Chiral 2,2' -bipyridine ligand and preparation method and application thereof | 西安交通大学 | 2023-03-24 | — | — | CN | disclosed |