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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 4/20 | 0.42 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | 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 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | 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 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 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 SCHEMBL21222833 | 0.97 | ALDH1A1 (0.50) | ALDH1A1CA1CA12CA9CA4 | |
| Tetrahydrofuran SCHEMBL28850538 | 0.93 | ALDH1A1 (0.53) | ALDH1A1CA1CA12CA9MEN1 | |
| Tetrahydrofuran SCHEMBL28292808 | 0.93 | ALDH1A1 (0.53) | ALDH1A1CA1CA12CA9MEN1 | |
| Tetrahydrofuran SCHEMBL28328868 | 0.93 | ALDH1A1 (0.53) | ALDH1A1CA1CA12CA9CA4 | |
| Tetrahydrofuran SCHEMBL27976469 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CA1CA12CA9CA4 | |
| Bicarbonate SCHEMBL20357904 | 0.90 | ALDH1A1 (0.50) | ALDH1A1CA1CA12CA9CA4 | |
| Tetrahydrofuran SCHEMBL6152903 | 0.88 | CA1 (0.53) | ALDH1A1CA1CA12CA9CA4 | |
| Dioxane SCHEMBL1758720 | 0.86 | TTR (0.46) | CA1CA12CA9CA4FAHD1 | |
| Tetrahydrofuran SCHEMBL8848579 | 0.85 | CA1 (0.50) | ALDH1A1CA1CA12CA9CA4 | |
| Tetrahydrofuran SCHEMBL28850537 | 0.84 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ATP53SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110300521-A | FUNGICIDAL COMPOSITIONS | 先正达参股股份有限公司 | 2019-10-01 | — | — | CN | disclosed |
| CN-109890208-A | FUNGICIDAL COMPOSITIONS | 先正达参股股份有限公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-107922408-A | Microbicidal heterobicyclic derivatives | 先正达参股股份有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107428722-A | Microbicidal heterobicyclic derivatives | 先正达参股股份有限公司 | 2017-12-01 | — | — | CN | disclosed |
| EP-0036773-B1 | 2,3-DIHYDROBENZOFURANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SMITHKLINE BECKMAN CORPORATION (US) | 1983-02-16 | — | — | EP | disclosed |
| EP-0036773-A1 | 2,3-Dihydrobenzofurans, process for their preparation and pharmaceutical compositions containing them | SMITHKLINE BECKMAN CORPORATION (US) | 1981-09-30 | — | — | EP | disclosed |
| US-4254140-A | USED FOR CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENT | SMITHKLINE CORPORATION (US) | 1981-03-03 | — | — | US | disclosed |