Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tetrahydrofuran. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 3/20 | 0.35 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | LDHA | P00338 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL20357904 | 0.97 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2GAACA12CA1 | |
| Tetrahydrofuran SCHEMBL11210402 | 0.93 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2GAACA12CA1 | |
| Tetrahydrofuran SCHEMBL28292808 | 0.93 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2GAACA12CA1 | |
| Tetrahydrofuran SCHEMBL28850538 | 0.93 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2GAACA12CA1 | |
| Tetrahydrofuran SCHEMBL28268087 | 0.90 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2GAACA4FAHD1 | |
| Bicarbonate SCHEMBL21222833 | 0.90 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2GAACA12CA1 | |
| Dioxane SCHEMBL1045521 | 0.86 | TTR (0.46) | ALDH1A1SMN1; SMN2GAACA12CA1 | |
| Tetrahydrofuran SCHEMBL27976469 | 0.84 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2GAACA12CA1 | |
| Tetrahydrofuran SCHEMBL28850537 | 0.84 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2GAAMEN1KMT2A | |
| Dioxane SCHEMBL10803588 | 0.83 | SMN1; SMN2 (0.43) | SMN1; SMN2GAACA12CA1CA9 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113999164-B | Preparation method of halofuginone intermediate trans-N-benzyloxycarbonyl- (3-hydroxy-2-piperidinyl) -2-propanone | 诚达药业股份有限公司 | 2024-02-02 | — | — | CN | disclosed |
| CN-113999164-A | Preparation method of halofuginone intermediate trans-N-benzyloxycarbonyl- (3-hydroxy-2-piperidyl) -2-acetone | 诚达药业股份有限公司 | 2022-02-01 | — | — | CN | disclosed |
| CN-108559085-B | Preparation and application of dual-emission conjugated polymer hypoxic probe | 南京邮电大学 | 2021-09-03 | — | — | CN | disclosed |
| CN-110505874-A | Molecule and relative intermediate, composition and method with desinsection effectiveness | DOW AGROSCIENCES LLC | 2019-11-26 | — | — | CN | disclosed |
| CN-110437084-A | A kind of compound and its covalent organic framework and preparation method of preparation | UNIV SHANDONG | 2019-11-12 | — | — | CN | disclosed |
| CN-109232654-A | A kind of Eu/Tb-TCP-COOH complex luminescent material and its preparation method and application | 重庆理工大学 | 2019-01-18 | — | — | CN | disclosed |
| CN-109134367-A | A kind of compound and application thereof inhibiting ROCK | 成都先导药物开发有限公司 | 2019-01-04 | — | — | CN | disclosed |