Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | 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 |
| ▸ | ALDH1A1 | P00352 | 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 SCHEMBL21294314 | 0.89 | TSHR (0.38) | TSHRTDP1 | |
| Hexylene Glycol SCHEMBL6869929 | 0.87 | MAPK1 (0.39) | TSHRTDP1CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL123432 | 0.87 | — | — | |
| Hexylene Glycol SCHEMBL335683 | 0.87 | — | — | |
| Hexylene Glycol SCHEMBL19379 | 0.87 | — | — | |
| Hexylene Glycol SCHEMBL11026089 | 0.85 | TSHR (0.35) | TSHR | |
| Hexylene Glycol SCHEMBL10376328 | 0.84 | TDP1 (0.56) | TSHRTDP1CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL83192 | 0.84 | TDP1 (0.40) | TSHRTDP1CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL8519090 | 0.84 | TDP1 (0.40) | TSHRTDP1CYP1A2CYP3A4CYP2C9 | |
| Hexylene Glycol SCHEMBL6271981 | 0.84 | — | — |
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-1413609-A1 | Pigmented ink set for ink jet printers | Ilford Imaging UK Limited (GB) | 2004-04-28 | — | — | EP | disclosed |