Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 2/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 5/20 | 0.39 |
| ▸ | FEN1 | P39748 | 5/20 | 0.39 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 3/20 | 0.37 |
| ▸ | CES1 | P23141 | 3/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | STK17B | O94768 | 1/20 | 0.36 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28987613 | 0.77 | ERN1 (0.41) | ALOX5APFEN1ACMSDCES2CES1 | |
| SCHEMBL7089420 | 0.77 | SLC6A4 (0.39) | ARCES2CES1SLC6A4SLC6A3 | |
| SCHEMBL7085294 | 0.75 | SLC6A4 (0.37) | ARCES2CES1SLC6A4SLC6A3 | |
| Benzene SCHEMBL28343003 | 0.73 | BCAT2 (0.55) | CES2CES1SLC6A3MAPTALDH1A1 | |
| Biphenyl SCHEMBL28340553 | 0.73 | BCAT2 (0.55) | CES2CES1SLC6A3MAPTALDH1A1 | |
| SCHEMBL27676197 | 0.73 | BCAT2 (0.59) | CES2CES1HTTALDH1A1 | |
| SCHEMBL30277841 | 0.73 | BCAT2 (0.59) | CES2CES1HTTALDH1A1 | |
| SCHEMBL7085149 | 0.73 | PTGS2 (0.40) | — | |
| SCHEMBL981885 | 0.72 | CES2 (0.63) | CES2CES1LTB4R2MAPT | |
| Water SCHEMBL6671736 | 0.72 | SLC6A2 (0.57) | ACMSDCES2CES1SLC6A4SLC6A3 |
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-1211244-A2 | 4,5-substitued imidazolyl compounds for the treatment of inflammation | G.D. Searle & Co. (US) | 2002-06-05 | — | — | EP | disclosed |