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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
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 SCHEMBL19086989 | 0.88 | FFAR3 (0.41) | CYP2C19USP2ALDH1A1LMNACYP1A2 | |
| SCHEMBL2790379 | 0.82 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL31017583 | 0.82 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL1003911 | 0.82 | — | — | |
| SCHEMBL8763394 | 0.82 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL1812050 | 0.82 | — | — | |
| SCHEMBL19971177 | 0.82 | ALDH1A1 (0.30) | ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4064667 | 0.81 | CPB2 (0.37) | CYP2C19USP2ALDH1A1LMNACYP1A2 | |
| SCHEMBL28544 | 0.78 | — | — | |
| SCHEMBL458413 | 0.78 | ALDH1A1 (0.32) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000006290-A | IMAGE RECORDING FILM | FUJI PHOTO FILM CO LTD | 2000-01-11 | — | — | JP | disclosed |