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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL28328868 | 0.93 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA9MEN1 | |
| Tetrahydrofuran SCHEMBL28850538 | 0.93 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA9MEN1 | |
| Tetrahydrofuran SCHEMBL11210402 | 0.93 | ALDH1A1 (0.53) | ALDH1A1CA12CA1CA9MEN1 | |
| Bicarbonate SCHEMBL20357904 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA9MEN1 | |
| Bicarbonate SCHEMBL21222833 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA9MEN1 | |
| Dioxane SCHEMBL28141413 | 0.86 | TTR (0.46) | ALDH1A1CA12CA1CA9MEN1 | |
| Tetrahydrofuran SCHEMBL28850537 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MEN1TP53KMT2ASMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL27976469 | 0.84 | ALDH1A1 (0.50) | ALDH1A1CA12CA1CA9MEN1 | |
| Tetrahydrofuran SCHEMBL28268087 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MEN1TP53KMT2ASMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL6152903 | 0.81 | CA1 (0.53) | ALDH1A1CA12CA1CA9MEN1 |
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-109661392-A | For treating the mitochondrial inhibitors of proliferative disorder | 巴斯利尔药物国际股份公司 | 2019-04-19 | — | — | CN | disclosed |