Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cyclohexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CHKA | P35790 | 1/20 | 0.31 |
| ▸ | FUCA1 | P04066 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL29042400 | 0.97 | ALDH1A1 (0.41) | ALDH1A1CXCR4SMN1; SMN2TSHRHIF1A | |
| Piperazine SCHEMBL1485419 | 0.93 | — | — | |
| Piperazine SCHEMBL9506704 | 0.93 | ALDH1A1 (0.50) | ALDH1A1CXCR4SMN1; SMN2TSHRHIF1A | |
| Alcohol SCHEMBL27962627 | 0.90 | CXCR4 (0.60) | ALDH1A1CXCR4SMN1; SMN2TSHRHIF1A | |
| Piperidine SCHEMBL66142 | 0.90 | — | — | |
| Piperazine SCHEMBL29044668 | 0.89 | ALDH1A1 (0.46) | ALDH1A1CXCR4SMN1; SMN2TSHRHIF1A | |
| Piperazine SCHEMBL22092466 | 0.89 | ALDH1A1 (0.46) | ALDH1A1CXCR4SMN1; SMN2TSHRHIF1A | |
| Piperazine SCHEMBL28015400 | 0.89 | ALDH1A1 (0.46) | ALDH1A1CXCR4SMN1; SMN2TSHRHIF1A | |
| Aziridine SCHEMBL64046 | 0.89 | — | — | |
| Piperidine SCHEMBL6836703 | 0.87 | ALDH1A1 (0.56) | ALDH1A1CXCR4SMN1; SMN2TSHR |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113402363-A | Method and equipment for recovering and purifying waste solvent ethanol-cyclohexane-piperazine | 四川熔增环保科技有限公司 | 2021-09-17 | — | — | CN | claimed |
| CN-113402363-A | Method and equipment for recovering and purifying waste solvent ethanol-cyclohexane-piperazine | 四川熔增环保科技有限公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-113402363-A | Method and equipment for recovering and purifying waste solvent ethanol-cyclohexane-piperazine | 四川熔增环保科技有限公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-113402363-A | Method and equipment for recovering and purifying waste solvent ethanol-cyclohexane-piperazine | 四川熔增环保科技有限公司 | 2021-09-17 | — | — | CN | disclosed |