Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 8/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.32 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.32 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.32 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.30 |
| ▸ | CDC25A | P30304 | 1/20 | 0.30 |
| ▸ | CDC25C | P30307 | 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 | |
|---|---|---|---|---|
| SCHEMBL9750926 | 1.00 | HMGCR (0.54) | HMGCRADORA2AADORA1ABCB1MET | |
| SCHEMBL9750845 | 0.86 | HMGCR (0.56) | HMGCRADORA2AADORA1ABCB1MET | |
| SCHEMBL9750945 | 0.85 | HMGCR (0.56) | HMGCRADORA2AADORA1METMAPK13 | |
| SCHEMBL9518437 | 0.85 | HMGCR (0.56) | HMGCRADORA2AADORA1METMAPK13 | |
| SCHEMBL10397745 | 0.80 | HMGCR (0.38) | HMGCRADORA2AADORA1METMAPK13 | |
| SCHEMBL10397744 | 0.80 | HMGCR (0.38) | HMGCRADORA2AADORA1METMAPK13 | |
| SCHEMBL9751002 | 0.76 | HMGCR (0.56) | HMGCRABCB1PTGS2 | |
| SCHEMBL9751007 | 0.76 | HMGCR (0.56) | HMGCRABCB1PTGS2 | |
| SCHEMBL31517828 | 0.75 | HMGCR (0.36) | HMGCRADORA2AADORA1PTGDR2 | |
| SCHEMBL31517692 | 0.74 | HMGCR (0.36) | HMGCRMETMAPK13MAPK12MAPK11 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0300657-B1 | 4-SUBSTITUTED 3-OXOBUTANOATE ESTER DERIVATIVES | MERCK & CO. INC. (US) | 1993-03-31 | — | — | EP | disclosed |
| EP-0300249-B1 | 7-[1H-pyrrol-3-yl]-substituted 3,5-dihydroxy-heptane acids, their corresponding delta-lactones and salts, processes for their manufacture, their use as medicines, pharmaceutical preparations and intermediates | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-02-03 | — | — | EP | disclosed |
| US-5055484-A | Anticholesterol and antilipemic agent | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-10-08 | — | — | US | disclosed |