Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 SCHEMBL28766222 | 0.98 | LMNA (0.36) | TDP1SMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL367745 | 0.98 | LMNA (0.36) | TDP1SMN1; SMN2CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL14777083 | 0.95 | TDP1 (0.36) | TDP1CYP1A2CYP3A4CYP2C9HIF1A | |
| Hexylene Glycol SCHEMBL83192 | 0.90 | TDP1 (0.40) | TDP1CYP1A2CYP3A4CYP2C9HIF1A | |
| Hexylene Glycol SCHEMBL8519090 | 0.90 | TDP1 (0.40) | TDP1CYP1A2CYP3A4CYP2C9HIF1A | |
| Hexylene Glycol SCHEMBL28213791 | 0.89 | SMN1; SMN2 (0.48) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Hexylene Glycol SCHEMBL25204926 | 0.89 | TDP1 (0.32) | TDP1 | |
| Hexylene Glycol SCHEMBL123432 | 0.87 | — | — | |
| Hexylene Glycol SCHEMBL19379 | 0.87 | — | — | |
| Hexylene Glycol SCHEMBL335683 | 0.87 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0368499-A2 | Water-reducible coating composition | BEE CHEMICAL COMPANY (US) | 1990-05-16 | — | — | EP | disclosed |