Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | CES2 | O00748 | 9/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.43 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.43 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Butanone SCHEMBL11812300 | 0.94 | ALDH1A1 (0.62) | ALDH1A1TDP1CES2CES1SMN1; SMN2 | |
| Hexane SCHEMBL2937805 | 0.94 | ALDH1A1 (0.71) | ALDH1A1TDP1CES2CES1AKR1B1 | |
| Octane SCHEMBL5026156 | 0.90 | ALDH1A1 (0.67) | ALDH1A1TDP1CES2CES1TSHR | |
| Heptane SCHEMBL1420888 | 0.90 | ALDH1A1 (0.67) | ALDH1A1TDP1CES2CES1TSHR | |
| 1-Pentanol SCHEMBL3227511 | 0.88 | SMN1; SMN2 (0.67) | ALDH1A1TDP1CES2CES1SMN1; SMN2 | |
| Butanone SCHEMBL9706895 | 0.88 | ALDH1A1 (0.61) | ALDH1A1TDP1CES2CES1SMN1; SMN2 | |
| Butanone SCHEMBL20299575 | 0.87 | ALDH1A1 (0.71) | ALDH1A1TDP1CES2CES1AKR1B1 | |
| Hexane SCHEMBL3809524 | 0.87 | SMN1; SMN2 (0.53) | ALDH1A1TDP1CES2CES1SMN1; SMN2 | |
| Butanone SCHEMBL457943 | 0.87 | — | — | |
| 1-Hexanol SCHEMBL11256968 | 0.86 | ALDH1A1 (0.68) | ALDH1A1TDP1CES2CES1SMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113233948-B | Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification | 青岛科技大学 | 2022-04-08 | — | — | CN | claimed |
| CN-113233948-A | Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification | 青岛科技大学 | 2021-08-10 | — | — | CN | claimed |
| CN-113233948-B | Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification | 青岛科技大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-113233948-B | Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification | 青岛科技大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-113233948-B | Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification | 青岛科技大学 | 2022-04-08 | — | — | CN | disclosed |
| CN-113233948-A | Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification | 青岛科技大学 | 2021-08-10 | — | — | CN | disclosed |
| CN-113233948-A | Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification | 青岛科技大学 | 2021-08-10 | — | — | CN | disclosed |
| CN-113233948-A | Method for separating hexane-ethanol-butanone system by two-tower pressure-swing batch rectification | 青岛科技大学 | 2021-08-10 | — | — | CN | disclosed |