Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.55 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.55 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.53 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.51 |
| ▸ | PPARG | P37231 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1131974 | 1.00 | NR1H4 (0.62) | NR1H4ALDH1A1MAOBNR4A1NR4A2 | |
| SCHEMBL934159 | 0.90 | SMN1; SMN2 (0.59) | NR1H4ALDH1A1MAOBPPARGMAPT | |
| SCHEMBL934158 | 0.90 | SMN1; SMN2 (0.59) | NR1H4ALDH1A1MAOBPPARGMAPT | |
| SCHEMBL6031200 | 0.87 | MAOB (0.58) | MAOBNR4A1NR4A2NR4A3L3MBTL1 | |
| SCHEMBL6469830 | 0.87 | MAOB (0.58) | MAOBNR4A1NR4A2NR4A3L3MBTL1 | |
| SCHEMBL934271 | 0.86 | MAOB (0.54) | ALDH1A1MAOBPARP10ABCG2GAA | |
| SCHEMBL934270 | 0.86 | MAOB (0.54) | ALDH1A1MAOBPARP10ABCG2GAA | |
| SCHEMBL2089906 | 0.84 | NR1H4 (0.44) | NR1H4ALDH1A1MAOBNR4A2LTB4R | |
| SCHEMBL2089903 | 0.84 | NR1H4 (0.44) | NR1H4ALDH1A1MAOBNR4A2LTB4R | |
| SCHEMBL3888888 | 0.84 | NR4A1 (0.64) | ALDH1A1MAOBNR4A1NR4A2NR4A3 |
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-1663105-B1 | CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS | BRISTOL MYERS SQUIBB CO (US) | 2011-02-16 | — | — | EP | disclosed |