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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| Cyclopentane SCHEMBL28205041 | 0.90 | TSHR (0.46) | CA12CA7CA9CA14TSHR | |
| Cyclohexane SCHEMBL16343852 | 0.86 | CA12 (0.35) | CA12CA7CA9CA14TSHR | |
| Sulfuric Acid SCHEMBL318414 | 0.84 | — | — | |
| Sulfuric Acid SCHEMBL15710177 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL4230482 | 0.78 | MEN1 (0.42) | TSHRKMT2AMEN1ALDH1A1TP53 | |
| Sulfuric Acid SCHEMBL8606278 | 0.78 | MEN1 (0.42) | TSHRKMT2AMEN1ALDH1A1TP53 | |
| Sulfuric Acid SCHEMBL6350799 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL31622369 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL17536523 | 0.78 | MEN1 (0.42) | TSHRKMT2AMEN1ALDH1A1TP53 | |
| Sulfuric Acid SCHEMBL31622370 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070243132-A1 | Transdermal delivery of pharmaceutical agents | APOLLO LIFE SCIENCES LIMITED (AU) | 2007-10-18 | — | — | US | disclosed |