Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | SYK | P43405 | 6/20 | 0.54 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.54 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.49 |
| ▸ | BCR | P11274 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14829253 | 0.85 | CLK4 (0.49) | CLK4ALDH1A1KDM4EHPGDSYK | |
| SCHEMBL28410856 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4ESYKAURKBINCENP | |
| SCHEMBL6676333 | 0.81 | CYP2A6 (0.49) | ALDH1A1SYKL3MBTL1 | |
| SCHEMBL11619840 | 0.80 | FYN (0.49) | ALDH1A1KDM4EHPGDSYKRAB9A | |
| SCHEMBL7113110 | 0.80 | KDM4E (0.67) | CLK4ALDH1A1KDM4EHPGDSYK | |
| SCHEMBL4095298 | 0.80 | CLK4 (0.58) | CLK4ALDH1A1KDM4EHPGDSYK | |
| SCHEMBL16048953 | 0.79 | KDM4E (0.66) | CLK4ALDH1A1KDM4EHPGDSYK | |
| SCHEMBL676668 | 0.79 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDABL1L3MBTL1 | |
| SCHEMBL20522368 | 0.79 | CLK4 (0.56) | CLK4ALDH1A1KDM4EHPGDSYK | |
| SCHEMBL27266791 | 0.79 | CLK4 (0.56) | CLK4ALDH1A1KDM4EHPGDSYK |
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 |