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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.62 |
| ▸ | CA2 | P00918 | 1/20 | 0.62 |
| ▸ | CA9 | Q16790 | 1/20 | 0.62 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL17784233 | 1.00 | CA1 (0.62) | CA1CA2CA9FFAR3CES2 | |
| Bicarbonate SCHEMBL934383 | 1.00 | CA1 (0.62) | CA1CA2CA9FFAR3CES2 | |
| Cyclohexane SCHEMBL7052291 | 1.00 | CA1 (0.62) | CA1CA2CA9FFAR3CES2 | |
| Cyclopentane SCHEMBL8102000 | 1.00 | CA1 (0.62) | CA1CA2CA9FFAR3CES2 | |
| Cyclohexane SCHEMBL9754177 | 1.00 | CA1 (0.62) | CA1CA2CA9FFAR3CES2 | |
| Cyclohexane SCHEMBL168638 | 1.00 | CA1 (0.62) | CA1CA2CA9FFAR3CES2 | |
| Bicarbonate SCHEMBL7521496 | 1.00 | CA1 (0.62) | CA1CA2CA9FFAR3CES2 | |
| Cyclohexane SCHEMBL3406024 | 1.00 | CA1 (0.62) | CA1CA2CA9FFAR3CES2 | |
| Cyclohexane SCHEMBL25742 | 1.00 | CA1 (0.62) | CA1CA2CA9FFAR3CES2 | |
| Bicarbonate SCHEMBL527333 | 1.00 | CA1 (0.62) | CA1CA2CA9FFAR3CES2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983235-A2 | LEUKOTRIENE B 4? DERIVATIVES, IN PARTICULAR OXIMO-LTB 4? ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998052915-A2 | LEUKOTRIENE B4 DERIVATIVES, IN PARTICULAR OXIMO-LTB4 ANTAGONISTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1998-11-26 | — | — | WO | disclosed |