Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTN3A1 | O00481 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 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 | |
|---|---|---|---|---|
| SCHEMBL329059 | 1.00 | BTN3A1 (0.41) | BTN3A1ALDH1A1MAPTL3MBTL1MAPK1 | |
| SCHEMBL877597 | 0.90 | BTN3A1 (0.43) | BTN3A1ALDH1A1MAPTL3MBTL1MAPK1 | |
| SCHEMBL7308118 | 0.79 | ALDH1A1 (0.46) | BTN3A1ALDH1A1L3MBTL1MAPK1TDP1 | |
| SCHEMBL2677628 | 0.78 | CETP (0.52) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL21245794 | 0.78 | CETP (0.52) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL27424922 | 0.78 | CETP (0.52) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL7305728 | 0.78 | CETP (0.52) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL3736932 | 0.78 | CETP (0.52) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL7305733 | 0.78 | CETP (0.52) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 | |
| SCHEMBL16648466 | 0.78 | CETP (0.52) | ALDH1A1L3MBTL1MAPK1TDP1CYP3A4 |
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-2407447-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE 2-HYDROXY ESTER AND NOVEL INTERMEDIATE COMPOUND | Tokyo University Of Science Educational Foundation Administrative Organization (JP) | 2012-01-18 | — | — | EP | disclosed |