Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ACHE | P22303 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 5/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.49 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.48 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.48 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.48 |
| ▸ | TLR4 | O00206 | 2/20 | 0.48 |
| ▸ | TLR2 | O60603 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27188054 | 0.86 | ALDH1A1 (0.77) | ALDH1A1KDM4EFFAR1MEN1KMT2A | |
| SCHEMBL7632953 | 0.86 | ALDH1A1 (0.77) | ALDH1A1KDM4EFFAR1MEN1KMT2A | |
| SCHEMBL4370814 | 0.85 | MEN1 (0.67) | ALDH1A1KDM4EACHEHSD17B10FFAR1 | |
| SCHEMBL3281827 | 0.85 | MEN1 (0.58) | ALDH1A1KDM4EACHEHSD17B10MEN1 | |
| SCHEMBL31448097 | 0.85 | MEN1 (0.67) | ALDH1A1KDM4EACHEHSD17B10FFAR1 | |
| SCHEMBL8695353 | 0.84 | HSD17B10 (0.75) | ALDH1A1KDM4EACHEHSD17B10MEN1 | |
| SCHEMBL457863 | 0.82 | HSPB1 (0.68) | ALDH1A1KDM4EFFAR1MEN1KMT2A | |
| SCHEMBL11190066 | 0.82 | ALDH1A1 (0.67) | ALDH1A1KDM4EFFAR1MEN1KMT2A | |
| SCHEMBL4456862 | 0.81 | ALDH1A1 (0.60) | ALDH1A1KDM4EFFAR1MEN1KMT2A | |
| Diphenylether SCHEMBL28998326 | 0.80 | ALDH1A1 (0.73) | ALDH1A1KDM4EFFAR1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-105753713-A | Synthetic method for 1,3-bis(5-nitro-2-ethyl formate phenoxy) benzene | 常州大学 | 2016-07-13 | — | — | CN | disclosed |