Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.61 |
| ▸ | CES1 | P23141 | 5/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL30081009 | 0.85 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL888679 | 0.85 | CES2 (0.58) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL5224837 | 0.83 | CES2 (0.56) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL11769973 | 0.82 | ALDH1A1 (0.55) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL1155548 | 0.82 | CES2 (0.55) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL9017503 | 0.80 | CES2 (0.53) | CES2CES1ALDH1A1ALOX15GAA | |
| Isopropyl Alcohol SCHEMBL29078917 | 0.79 | CES2 (0.56) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL27995319 | 0.79 | CES2 (0.61) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL19333968 | 0.79 | CES2 (0.51) | CES2CES1ALDH1A1ALOX15GAA | |
| SCHEMBL28380256 | 0.79 | CES2 (0.51) | CES2CES1ALDH1A1ALOX15GAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362206-B1 | FUNGICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-03-26 | — | — | US | disclosed |
| EP-1033367-A2 | Process for the preparation of optically active triazole derivatives and their imidazolidin-2-one intermediates | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-09-06 | — | — | EP | disclosed |
| US-6034248-A | FUNGICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-03-07 | — | — | US | disclosed |
| US-5677464-A | Production of optically active triazole compounds and their intermediates | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-14 | — | — | US | disclosed |
| EP-0687672-A2 | Production of optically active triazole compounds and their intermediates | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-12-20 | — | — | EP | disclosed |