Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 | 2/20 | 0.47 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 SCHEMBL1056026 | 0.97 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL11401799 | 0.97 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL7645655 | 0.97 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL1686095 | 0.94 | ALDH1A1 (0.47) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Acetic Acid SCHEMBL10557658 | 0.94 | ALDH1A1 (0.47) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL28650393 | 0.94 | ALDH1A1 (0.53) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL44945 | 0.94 | — | — | |
| Tetrahydrofuran SCHEMBL1704980 | 0.94 | ALDH1A1 (0.53) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Acetic Acid SCHEMBL4868108 | 0.91 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; SMN2 | |
| Tetrahydrofuran SCHEMBL7175965 | 0.91 | ALDH1A1 (0.50) | ALDH1A1FFAR3LCKFYNSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107344096-A | A kind of gas-chromatography filler that can divide analysis of variance hydrogen isotope and preparation method thereof | 北京化工大学 | 2017-11-14 | — | — | CN | disclosed |