Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 4/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | EP300 | Q09472 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 3/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | HBB | P68871 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9001396 | 0.82 | HTT (0.36) | CES1CES2ALDH1A1EPHX1NPC1 | |
| SCHEMBL27335677 | 0.82 | CES1 (0.33) | CES1TSHRCES2ALDH1A1GAA | |
| SCHEMBL9149341 | 0.78 | SMN1; SMN2 (0.35) | CES1CES2ALDH1A1GAAEPHX1 | |
| SCHEMBL9001403 | 0.76 | CES1 (0.39) | CES1CES2ALDH1A1EPHX1L3MBTL1 | |
| SCHEMBL2805922 | 0.75 | NPC1 (0.40) | CES1TSHRCES2ALDH1A1GAA | |
| SCHEMBL27422878 | 0.75 | HTT (0.33) | CES1TSHRCES2ALDH1A1EPHX1 | |
| SCHEMBL6101719 | 0.74 | EP300 (0.33) | CES1TSHRCES2EPHX1NPC1 | |
| SCHEMBL27335678 | 0.70 | NPC1 (0.37) | ALDH1A1NPC1SMN1; SMN2RAB9AEP300 | |
| SCHEMBL28386645 | 0.68 | ALDH1A1 (0.34) | CES1TSHRCES2ALDH1A1EPHX1 | |
| SCHEMBL330286 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5482967-A | LOWERING CHOLESTEROL | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-01-09 | — | — | US | disclosed |