Known targets — ChEMBL curated mechanism
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
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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | MMP2 | P08253 | 5/20 | 0.38 |
| ▸ | FDPS | P14324 | 4/20 | 0.38 |
| ▸ | MMP1 | P03956 | 2/20 | 0.38 |
| ▸ | MMP3 | P08254 | 2/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Phosphoric Acid SCHEMBL8663768 | 1.00 | — | — | |
| Cyclohexane SCHEMBL17868388 | 1.00 | TSHR (0.40) | TSHRCYP2C19CA2MMP2FDPS | |
| Cyclohexane SCHEMBL28991397 | 1.00 | TSHR (0.40) | TSHRCYP2C19CA2MMP2FDPS | |
| Cycloheptane SCHEMBL7041097 | 0.95 | TSHR (0.42) | TSHRCYP2C19CA2MMP2FDPS | |
| Phosphoric Acid SCHEMBL28406252 | 0.95 | TSHR (0.42) | TSHRCYP2C19CA2MMP2FDPS | |
| Cyclohexane SCHEMBL25174142 | 0.95 | TSHR (0.42) | TSHRCYP2C19CA2MMP2FDPS | |
| Cyclohexane SCHEMBL6865343 | 0.95 | TSHR (0.42) | TSHRCYP2C19CA2MMP2FDPS | |
| Cyclohexane SCHEMBL521319 | 0.95 | TSHR (0.42) | TSHRCYP2C19CA2MMP2FDPS | |
| Cyclopentane SCHEMBL6835511 | 0.95 | TSHR (0.42) | TSHRCYP2C19CA2MMP2FDPS | |
| Cyclohexane SCHEMBL269925 | 0.95 | TSHR (0.42) | TSHRCYP2C19CA2MMP2FDPS |
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-107868023-B | Biguanide phosphate synthesis method and antibacterial agent | 中国石油化学工业开发股份有限公司 | 2020-05-08 | — | — | CN | disclosed |
| CN-107056624-B | A kind of alcoholysis recovery method of nylon 66 material | 青岛科技大学 | 2019-04-16 | — | — | CN | disclosed |
| CN-107868023-A | Biguanide phosphate synthesis method and antibacterial agent | 中国石油化学工业开发股份有限公司 | 2018-04-03 | — | — | CN | disclosed |
| EP-1425323-B1 | BINDER FOR ABRASIVE ARTICLES, ABRASIVE ARTICLES INCLUDING THE SAME AND METHOD OF MAKING SAME | 3M INNOVATIVE PROPERTIES CO (US) | 2012-12-26 | — | — | EP | disclosed |
| EP-1425323-A1 | BINDER FOR ABRASIVE ARTICLES, ABRASIVE ARTICLES INCLUDING THE SAME AND METHOD OF MAKING SAME | 3M Innovative Properties Company (US) | 2004-06-09 | — | — | EP | disclosed |
| US-6682574-B2 | CAN BE USED FOR SANDING, GRINDING OR POLISHING VARIOUS SURFACES OF, FOR EXAMPLE, STEEL AND OTHER METALS, WOOD, WOOD-LIKE LAMINATES, PLASTIC, FIBERGLASS, LEATHER OR CERAMICS | 3M INNOVATIVE PROPERTIES COMPANY | 2004-01-27 | — | — | US | disclosed |
| US-20030079415-A1 | Binder for abrasive articles, abrasive articles including the same and method of making same | 3M INNOVATIVE PROPERTIES COMPANY | 2003-05-01 | — | — | US | disclosed |
| WO-2003022899-A1 | BINDER FOR ABRASIVE ARTICLES, ABRASIVE ARTICLES INCLUDING THE SAME AND METHOD OF MAKING SAME | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2003-03-20 | — | — | WO | disclosed |