Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | RORB | Q92753 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5516950 | 0.82 | ALDH1A1 (0.52) | ALDH1A1L3MBTL1ABL1 | |
| SCHEMBL676668 | 0.80 | ALDH1A1 (0.57) | ALDH1A1L3MBTL1KCNA5ABL1TDO2 | |
| SCHEMBL5093163 | 0.77 | KCNA5 (0.60) | NUDT1RORBKCNN4KCNA5PDE4A | |
| SCHEMBL24809554 | 0.76 | NUDT1 (0.45) | NUDT1RORBDHFRADORA1TDO2 | |
| SCHEMBL3875933 | 0.76 | CYP11B2 (0.55) | NUDT1RORBDHFRADORA1TDO2 | |
| SCHEMBL29501242 | 0.75 | LOXL2 (0.47) | NUDT1FYNDHFRPDE4APDE4B | |
| SCHEMBL15676581 | 0.75 | LOXL2 (0.47) | NUDT1FYNDHFRPDE4APDE4B | |
| SCHEMBL7444875 | 0.75 | BRD4 (0.52) | NUDT1L3MBTL1DHFRADORA1PDE4A | |
| SCHEMBL15637672 | 0.75 | RORB (0.55) | RORBADORA1KCNN4KCNA5PDE4A | |
| Acetic Acid SCHEMBL28296133 | 0.74 | TDP1 (0.46) | ALDH1A1L3MBTL1ABL1KMO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111100851-B | Alcohol dehydrogenase mutant and application thereof in synthesis of chiral diaryl alcohol compound | 中国科学院天津工业生物技术研究所 | 2022-07-26 | — | — | CN | disclosed |
| CN-112852770-B | Alcohol dehydrogenase mutant and application thereof in preparing chiral diaryl alcohol compound by efficient asymmetric reduction | 中国科学院天津工业生物技术研究所 | 2022-01-07 | — | — | CN | disclosed |
| CN-112852770-A | Alcohol dehydrogenase mutant and application thereof in preparing chiral diaryl alcohol compound by efficient asymmetric reduction | 中国科学院天津工业生物技术研究所 | 2021-05-28 | — | — | CN | disclosed |
| CN-111100851-A | Alcohol dehydrogenase mutant and application thereof in synthesis of chiral diaryl alcohol compound | 中国科学院天津工业生物技术研究所 | 2020-05-05 | — | — | CN | disclosed |