Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL30232 | 1.00 | — | — | |
| Tetrahydrofuran SCHEMBL4858668 | 0.97 | — | — | |
| Tetrahydrofuran SCHEMBL28397015 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRTTRPDK1PDK2 | |
| Alcohol SCHEMBL4270003 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRTTRPDK1PDK2 | |
| Alcohol SCHEMBL3138912 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRTTRPDK1PDK2 | |
| Alcohol SCHEMBL15013700 | 0.97 | — | — | |
| Tetrahydrofuran SCHEMBL241626 | 0.97 | — | — | |
| Tetrahydrofuran SCHEMBL218583 | 0.97 | ALDH1A1 (0.53) | ALDH1A1TSHRTTRPDK1PDK2 | |
| Tetrahydrofuran SCHEMBL3893627 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TSHRPDK1PDK2PDK3 | |
| Alcohol SCHEMBL7807841 | 0.94 | ALDH1A1 (0.50) | ALDH1A1TSHRPDK1PDK2PDK3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5976566-A | INCLUDING IN THE FORMULATION 2-HYDROCARBYL-1,3-DIOXOLANE, 1,3-DIOXANE OR AN ACETAL, AS SKIN PENETRATION ENHANCING COMPOUND. | MACROCHEM CORPORATION (US) | 1999-11-02 | — | — | US | disclosed |