Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29144761 | 0.82 | ACHE (0.49) | BCHEACHEALDH1A1KMT2ATAS2R14 | |
| SCHEMBL29144755 | 0.82 | BCHE (0.49) | BCHEACHEALDH1A1KMT2AMAPT | |
| SCHEMBL1899008 | 0.81 | CA2 (0.48) | BCHEACHEALDH1A1KMT2ACA12 | |
| SCHEMBL29144745 | 0.80 | TSHR (0.51) | BCHEACHEALDH1A1HCRTR2CA1 | |
| SCHEMBL29144728 | 0.80 | ITGB1 (0.46) | BCHEACHEALDH1A1CYP19A1CA12 | |
| SCHEMBL29144730 | 0.78 | ACHE (0.52) | BCHEACHEALDH1A1KMT2ACA12 | |
| SCHEMBL29950877 | 0.78 | BCHE (0.52) | BCHEACHEALDH1A1CYP2A6KMT2A | |
| SCHEMBL29144758 | 0.73 | TLR9 (0.44) | ALDH1A1KMT2ACA12CA1CA2 | |
| SCHEMBL16190461 | 0.71 | ALDH1A1 (0.52) | BCHEACHEALDH1A1CYP2A6KMT2A | |
| SCHEMBL14378095 | 0.70 | ALDH1A1 (0.67) | BCHEACHEALDH1A1CYP2A6KMT2A |
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-117466790-B | Preparation method of alpha-sulfinylated carbonyl compound | 西北师范大学 | 2024-05-28 | — | — | CN | disclosed |
| CN-117466790-A | Preparation method of alpha-sulfinylated carbonyl compound | 西北师范大学 | 2024-01-30 | — | — | CN | disclosed |