Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexylene Glycol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PGD | P52209 | 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 | |
|---|---|---|---|---|
| Hexylene Glycol SCHEMBL7566127 | 0.92 | MAPK1 (0.37) | ALDH1A1TSHRTP53HMGCRCHRM1 | |
| Hexylene Glycol SCHEMBL1829463 | 0.92 | MAPK1 (0.38) | ALDH1A1TSHRPIK3CDCYP1A2CYP3A4 | |
| Hexylene Glycol SCHEMBL335683 | 0.89 | — | — | |
| Hexylene Glycol SCHEMBL6869929 | 0.89 | MAPK1 (0.39) | ALDH1A1TSHRPIK3CDCYP1A2CYP3A4 | |
| Hexylene Glycol SCHEMBL19379 | 0.89 | — | — | |
| Hexylene Glycol SCHEMBL123432 | 0.89 | — | — | |
| Hexylene Glycol SCHEMBL20504488 | 0.88 | EGLN1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Hexylene Glycol SCHEMBL10596120 | 0.88 | FFAR3 (0.46) | ALDH1A1TSHRTP53HMGCRCHRM1 | |
| Hexylene Glycol SCHEMBL11586164 | 0.86 | HMGCR (0.36) | ALDH1A1TSHRTP53HMGCRCHRM1 | |
| Hexylene Glycol SCHEMBL11802241 | 0.86 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114828991-A | Articles comprising a homogeneous pore membrane disposed on a porous substrate and methods of making the same | 3M创新有限公司 | 2022-07-29 | — | — | CN | disclosed |
| CN-114729114-A | Method for producing polyether carbonate polyols | 科思创知识产权两合公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-109790276-B | Process for preparing elastomers | 科思创德国股份有限公司 | 2022-06-10 | — | — | CN | disclosed |
| CN-109983059-B | Pentablock copolymers | 3M创新有限公司 | 2022-05-24 | — | — | CN | disclosed |
| CN-109790275-B | Process for preparing multiple bond-containing prepolymers as elastomer precursors | 科思创德国股份有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-113950501-A | Method for continuously producing polyoxyalkylene polyol | 科思创知识产权两合公司 | 2022-01-18 | — | — | CN | disclosed |
| CN-109071795-B | Method for producing polyoxyalkylene polyol | 科思创德国股份有限公司 | 2021-08-31 | — | — | CN | disclosed |
| CN-109312065-B | Method for producing polyether carbonate polyols | 科思创德国股份有限公司 | 2021-08-27 | — | — | CN | disclosed |
| CN-113166389-A | Process for preparing polymers containing double bonds as precursors of elastomers | 科思创知识产权两合公司 | 2021-07-23 | — | — | CN | disclosed |
| CN-110291124-B | Triblock copolymers | 3M创新有限公司 | 2021-06-25 | — | — | CN | disclosed |
| CN-112423868-A | Homomorous membranes comprising crosslinked multiblock copolymers | 3M创新有限公司 | 2021-02-26 | — | — | CN | disclosed |
| CN-112203750-A | Porous membranes comprising triblock copolymers | 3M创新有限公司 | 2021-01-08 | — | — | CN | disclosed |
| CN-107636043-B | Method for producing polyether carbonate polyols | 科思创德国股份有限公司 | 2020-11-20 | — | — | CN | disclosed |
| CN-109071791-B | Method for producing polyether carbonate polyols | 科思创德国股份有限公司 | 2020-11-03 | — | — | CN | disclosed |
| CN-107428928-B | Method for producing polyether carbonate polyols | 科思创德国股份有限公司 | 2020-08-07 | — | — | CN | disclosed |
| CN-111372966-A | Reaction system for 1K polyurethane foams | 科思创德国股份有限公司 | 2020-07-03 | — | — | CN | disclosed |
| CN-107922607-B | Process for producing high molecular weight polyoxyalkylene polyol | 科思创德国股份有限公司 | 2020-05-19 | — | — | CN | disclosed |
| CN-111133022-A | Process for preparing polymers containing multiple bonds as elastomer precursors | 科思创德国股份有限公司 | 2020-05-08 | — | — | CN | disclosed |
| CN-110809590-A | Process for preparing functionalized polyoxyalkylene polyols | 科思创德国股份有限公司 | 2020-02-18 | — | — | CN | disclosed |