Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | LIPE | Q05469 | 13/20 | 0.34 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | MMP14 | P50281 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NOX4 | Q9NPH5 | 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 | |
|---|---|---|---|---|
| SCHEMBL8111197 | 1.00 | ACACB (0.34) | ACACBLIPEMMP13MMP14ALDH1A1 | |
| SCHEMBL8105653 | 0.89 | ACACB (0.36) | ACACBLIPEMMP13MMP14ALDH1A1 | |
| SCHEMBL8105650 | 0.89 | ACACB (0.36) | ACACBLIPEMMP13MMP14ALDH1A1 | |
| SCHEMBL6832831 | 0.83 | CYP3A4 (0.39) | ACACBLIPEHTT | |
| SCHEMBL8106895 | 0.82 | ACACB (0.32) | ACACBMMP13MMP14ALDH1A1HTT | |
| SCHEMBL8106891 | 0.82 | ACACB (0.32) | ACACBMMP13MMP14ALDH1A1HTT | |
| SCHEMBL8540080 | 0.74 | SCN9A (0.36) | ACACBLIPEHTT | |
| SCHEMBL8106760 | 0.74 | CYP3A4 (0.49) | — | |
| SCHEMBL8111015 | 0.73 | PPARD (0.33) | — | |
| SCHEMBL8111012 | 0.73 | PPARD (0.33) | — |
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-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-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 |