Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL3261905 | 1.00 | ALDH1A1 (0.53) | ALDH1A1CXCR4SMN1; SMN2 | |
| Pyrrolidine SCHEMBL28552039 | 0.97 | ALDH1A1 (0.47) | ALDH1A1CXCR4SMN1; SMN2 | |
| Piperidine SCHEMBL28074884 | 0.92 | ALDH1A1 (0.45) | ALDH1A1CXCR4SMN1; SMN2 | |
| Azetidine SCHEMBL2507460 | 0.91 | CXCR4 (0.35) | ALDH1A1CXCR4SMN1; SMN2 | |
| Hexadecane SCHEMBL3392442 | 0.88 | ALDH1A1 (0.41) | ALDH1A1 | |
| Azetidine SCHEMBL17938012 | 0.88 | CXCR4 (0.33) | ALDH1A1CXCR4SMN1; SMN2 | |
| Aziridine SCHEMBL29082712 | 0.87 | HIF1A (0.36) | — | |
| Piperazine SCHEMBL28595975 | 0.84 | HIF1A (0.43) | CXCR4SMN1; SMN2 | |
| Piperidine SCHEMBL27996688 | 0.81 | — | — | |
| Piperidine SCHEMBL22363260 | 0.81 | ALDH1A1 (0.39) | ALDH1A1 |
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-112661703-B | Method for extracting and recovering methylpyrimidinyl alcohol by using nitrogen heterocyclic functionalized ionic liquid | 湖南海利高新技术产业集团有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-112661703-A | Method for extracting and recovering methyl pyrimidineol by using nitrogen heterocyclic functionalized ionic liquid | 湖南海利高新技术产业集团有限公司 | 2021-04-16 | — | — | CN | disclosed |