Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 3/20 | 0.45 |
| ▸ | CA12 | O43570 | 6/20 | 0.44 |
| ▸ | CA1 | P00915 | 6/20 | 0.44 |
| ▸ | CA2 | P00918 | 6/20 | 0.44 |
| ▸ | CA9 | Q16790 | 6/20 | 0.44 |
| ▸ | STAT3 | P40763 | 1/20 | 0.43 |
| ▸ | HNF4A | P41235 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.41 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.41 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29700241 | 1.00 | ALDH1A1 (0.54) | ALDH1A1HPGDBCL2L1HSD17B10BACE1 | |
| SCHEMBL29700247 | 0.85 | ALDH1A1 (0.54) | ALDH1A1HPGDBCL2L1HSD17B10BACE1 | |
| SCHEMBL3042569 | 0.85 | ALDH1A1 (0.54) | ALDH1A1HPGDBCL2L1HSD17B10BACE1 | |
| Formaldehyde SCHEMBL5123936 | 0.81 | ALDH1A1 (0.50) | ALDH1A1HPGDBCL2L1HSD17B10BACE1 | |
| SCHEMBL6564249 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HPGDBCL2L1HSD17B10CA12 | |
| SCHEMBL184009 | 0.81 | CA2 (0.46) | CA12CA1CA2CA9STAT3 | |
| SCHEMBL7078177 | 0.81 | ALDH1A1 (0.54) | ALDH1A1HPGDBCL2L1HSD17B10CA12 | |
| SCHEMBL29226029 | 0.80 | HNF4A (0.56) | ALDH1A1HPGDHSD17B10CA12CA1 | |
| SCHEMBL30153392 | 0.80 | HNF4A (0.56) | ALDH1A1HPGDHSD17B10CA12CA1 | |
| SCHEMBL10732567 | 0.79 | CYP2A6 (0.52) | ALDH1A1HSD17B10CA12CA1CA2 |
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-110683940-B | Method for converting dibenzo [ c, e ] [1,2] oxathiane-6-oxide compound | 中国科学院成都生物研究所 | 2022-07-01 | — | — | CN | disclosed |
| CN-110683940-A | Method for converting dibenzo [ c, e ] [1,2] oxathiane-6-oxide compound | 中国科学院成都生物研究所 | 2020-01-14 | — | — | CN | disclosed |