Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| Hexylene Glycol SCHEMBL83192 | 1.00 | TDP1 (0.40) | TDP1MAPK1CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL10667144 | 0.93 | TDP1 (0.35) | TDP1MAPK1CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL6869929 | 0.91 | MAPK1 (0.39) | TDP1MAPK1CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL335683 | 0.91 | — | — | |
| Hexylene Glycol SCHEMBL19379 | 0.91 | — | — | |
| Hexylene Glycol SCHEMBL123432 | 0.91 | — | — | |
| Hexylene Glycol SCHEMBL14777083 | 0.90 | TDP1 (0.36) | TDP1MAPK1CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL10440356 | 0.90 | TDP1 (0.36) | TDP1MAPK1CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL10376328 | 0.89 | TDP1 (0.56) | TDP1MAPK1CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL10789898 | 0.89 | MEN1 (0.32) | TDP1CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0912709-A2 | CLEAR, CONCENTRATED LIQUID FABRIC SOFTENER COMPOSITIONS | Colgate-Palmolive Company (US) | 1999-05-06 | — | — | EP | disclosed |
| WO-1997047723-A2 | CLEAR, CONCENTRATED LIQUID FABRIC SOFTENER COMPOSITIONS | COLGATE-PALMOLIVE COMPANY (US) | 1997-12-18 | — | — | WO | disclosed |