Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | CCL2 | P13500 | 1/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL28830535 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TRPA1PTGS1CACNA1CBRD4 | |
| SCHEMBL28830537 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TRPA1PTGS1CACNA1CBRD4 | |
| SCHEMBL28830455 | 0.79 | CHRNA7 (0.39) | ALDH1A1 | |
| SCHEMBL28830454 | 0.79 | CHRNA7 (0.39) | ALDH1A1 | |
| SCHEMBL29800155 | 0.77 | ACP3 (0.39) | — | |
| SCHEMBL28830485 | 0.77 | ACP3 (0.39) | — | |
| SCHEMBL28830483 | 0.77 | ACP3 (0.39) | — | |
| SCHEMBL27347833 | 0.76 | HPGD (0.35) | ALDH1A1TP53 | |
| SCHEMBL28830526 | 0.76 | HPGD (0.35) | ALDH1A1TP53 | |
| SCHEMBL6002859 | 0.72 | TRPA1 (0.39) | ALDH1A1TRPA1PTGS1CACNA1CTP53 |
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-114957304-A | Chiral 1, 5-diborane compound and synthesis method and application thereof | 浙江大学 | 2022-08-30 | — | — | CN | disclosed |