Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.36 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28055447 | 0.88 | CA1 (0.42) | CA1CA2CA4CA7CA9 | |
| SCHEMBL28055448 | 0.88 | CA1 (0.42) | CA1CA2CA4CA7CA9 | |
| SCHEMBL30293721 | 0.85 | SMN1; SMN2 (0.42) | SMN1; SMN2METAP1ALDH1A1LMNABACE1 | |
| SCHEMBL1874449 | 0.85 | SMN1; SMN2 (0.42) | SMN1; SMN2METAP1ALDH1A1LMNABACE1 | |
| SCHEMBL29476749 | 0.85 | SMN1; SMN2 (0.42) | SMN1; SMN2METAP1ALDH1A1LMNABACE1 | |
| SCHEMBL1875543 | 0.85 | SMN1; SMN2 (0.42) | SMN1; SMN2METAP1ALDH1A1LMNABACE1 | |
| SCHEMBL29940608 | 0.85 | SMN1; SMN2 (0.42) | SMN1; SMN2METAP1ALDH1A1LMNABACE1 | |
| SCHEMBL29476750 | 0.85 | SMN1; SMN2 (0.42) | SMN1; SMN2METAP1ALDH1A1LMNABACE1 | |
| SCHEMBL28534753 | 0.84 | CA1 (0.41) | CA1CA2CA4CA7CA9 | |
| SCHEMBL12083423 | 0.84 | CA1 (0.41) | CA1CA2CA7CA9SMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108911980-B | Method for kinetic resolution of alpha-hydroxy-beta-dicarbonyl compound enantiomer under micro-reaction condition or conventional reaction condition | 吉林大学 | 2021-06-29 | — | — | CN | disclosed |