Known targets — ChEMBL curated mechanism
DHFRGARTPTGFRPTGIRPTGS1PTGS2TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8envmurAthyA
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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| Hexylene Glycol SCHEMBL6869929 | 0.83 | MAPK1 (0.39) | LMNACYP1A2CYP3A4CYP2C9HIF1A | |
| Hexylene Glycol SCHEMBL123432 | 0.83 | — | — | |
| Hexylene Glycol SCHEMBL19379 | 0.83 | — | — | |
| Hexylene Glycol SCHEMBL335683 | 0.83 | — | — | |
| Hexylene Glycol SCHEMBL6579591 | 0.81 | TSHR (0.36) | CYP1A2CYP3A4CYP2C9HIF1ATDP1 | |
| Hexylene Glycol SCHEMBL83192 | 0.80 | TDP1 (0.40) | CYP1A2CYP3A4CYP2C9HIF1ATDP1 | |
| Hexylene Glycol SCHEMBL8519090 | 0.80 | TDP1 (0.40) | CYP1A2CYP3A4CYP2C9HIF1ATDP1 | |
| Hexylene Glycol SCHEMBL10376328 | 0.80 | TDP1 (0.56) | CYP1A2CYP3A4CYP2C9HIF1ATDP1 | |
| SCHEMBL8208939 | 0.80 | MEN1 (0.47) | MEN1LMNAKMT2ACYP1A2CYP3A4 | |
| Hexylene Glycol SCHEMBL11802241 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002083938-A2 | SCREENING METHODS FOR IDENTIFYING LIGANDS | EMERALD BIOSTRUCTURES, INC. (US) | 2002-10-24 | — | — | WO | disclosed |