Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.60 |
| ▸ | CA2 | P00918 | 2/20 | 0.60 |
| ▸ | CA7 | P43166 | 2/20 | 0.60 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.53 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1355962 | 0.85 | CA1 (0.67) | CA1CA2CA7CA13MEN1 | |
| SCHEMBL2549394 | 0.85 | ALDH1A1 (0.63) | MEN1KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL11811575 | 0.84 | RAB9A (0.65) | CA1CA2CA7CA13MEN1 | |
| SCHEMBL1447641 | 0.82 | CA1 (0.59) | CA1CA2CA7CA13MEN1 | |
| SCHEMBL9787043 | 0.82 | CA1 (0.64) | CA1CA2CA7CA13MEN1 | |
| SCHEMBL9787308 | 0.81 | CA1 (0.62) | CA1CA2CA7CA13MEN1 | |
| SCHEMBL28504230 | 0.81 | CA1 (0.62) | CA1CA2CA7CA13MEN1 | |
| SCHEMBL10874649 | 0.81 | NPC1 (0.65) | CA1CA2CA7CA13MEN1 | |
| SCHEMBL9565777 | 0.81 | MEN1 (0.64) | CA1CA2CA7CA13MEN1 | |
| SCHEMBL7575160 | 0.80 | NR4A2 (0.59) | MEN1KMT2ANPC1RAB9AALDH1A1 |
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-112174793-B | Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound | 温州大学 | 2023-03-28 | — | — | CN | disclosed |
| CN-112174793-A | Method and ligand for breaking C-S bond of alpha-thioaryl ethanone compound | 温州大学 | 2021-01-05 | — | — | CN | disclosed |