Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | HTR6 | P50406 | 2/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | KCNK3 | O14649 | 4/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9696155 | 0.85 | KMT2A (0.35) | PTGS2PTGS1KMT2AALDH1A1HTR1A | |
| SCHEMBL9696143 | 0.80 | KMT2A (0.53) | PTGS2PTGS1KMT2AALDH1A1ALOX5 | |
| SCHEMBL9696399 | 0.79 | KMT2A (0.45) | PTGS2PTGS1KMT2AALDH1A1KCNK3 | |
| SCHEMBL9695041 | 0.79 | GCGR (0.42) | PTGS2PTGS1KMT2A | |
| SCHEMBL9697138 | 0.75 | KMT2A (0.34) | PTGS2PTGS1KMT2AALDH1A1KCNK3 | |
| SCHEMBL9780839 | 0.73 | ALDH1A1 (0.34) | PTGS2PTGS1KMT2AALDH1A1HTR1A | |
| SCHEMBL9319959 | 0.73 | ALDH1A1 (0.39) | PTGS2PTGS1ALDH1A1AR | |
| SCHEMBL9764313 | 0.71 | PTGS2 (0.43) | PTGS2ALDH1A1 | |
| SCHEMBL9024278 | 0.71 | PTGS2 (0.38) | PTGS2PTGS1ALDH1A1 | |
| SCHEMBL8805119 | 0.71 | ALDH1A1 (0.40) | PTGS2PTGS1ALDH1A1AR |
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 |
|---|---|---|---|---|---|---|---|
| US-5124453-A | Treatment of corresponding aldehyde with lithium bis(tri-methylsilyl)amide | E. R. SQUIBB & SONS, INC. (US) | 1992-06-23 | — | — | US | disclosed |
| EP-0444532-A1 | Phosphorus-containing HMG-CoA reductase inhibitors, new intermediates and method | E.R. SQUIBB & SONS, INC. (US) | 1991-09-04 | — | — | EP | disclosed |
| US-5025000-A | Anticholesterol, antilipemic agents | E. R. SQUIBB & SONS, INC. (US) | 1991-06-18 | — | — | US | disclosed |