Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL92139 | 0.91 | CYP3A4 (0.59) | ALDH1A1CYP3A4TSHRTDP1L3MBTL1 | |
| Propylene Glycol SCHEMBL5072616 | 0.86 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRTDP1L3MBTL1 | |
| Ethylene Glycol SCHEMBL1834227 | 0.85 | CYP3A4 (0.58) | ALDH1A1CYP3A4TSHRTDP1L3MBTL1 | |
| Ethylene Glycol SCHEMBL33531 | 0.85 | CYP3A4 (0.58) | ALDH1A1CYP3A4TSHRTDP1L3MBTL1 | |
| SCHEMBL3312326 | 0.85 | CYP3A4 (0.52) | ALDH1A1CYP3A4TSHRTDP1L3MBTL1 | |
| Ethylene Glycol SCHEMBL27709262 | 0.84 | CYP3A4 (0.62) | ALDH1A1CYP3A4TSHRTDP1L3MBTL1 | |
| Ethylene Glycol SCHEMBL27415060 | 0.84 | CYP3A4 (0.62) | ALDH1A1CYP3A4TSHRTDP1L3MBTL1 | |
| SCHEMBL17526647 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHRTDP1L3MBTL1 | |
| Ethylene Glycol SCHEMBL8639813 | 0.82 | CYP3A4 (0.66) | ALDH1A1CYP3A4TSHRTDP1L3MBTL1 | |
| SCHEMBL813042 | 0.82 | CYP3A4 (0.47) | ALDH1A1CYP3A4TSHRTDP1L3MBTL1 |
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-2272924-A1 | AQUEOUS INK FOR INKJET RECORDING | Kao Corporation (JP) | 2011-01-12 | — | — | EP | disclosed |