Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PPARD | Q03181 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | LIPE | Q05469 | 4/20 | 0.32 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3401516 | 0.87 | ALDH1A1 (0.46) | ALDH1A1OPRL1PPARDPPARALIPE | |
| SCHEMBL8535783 | 0.82 | ALDH1A1 (0.48) | ALDH1A1MMP13MMP14LIPEPOLB | |
| SCHEMBL8584198 | 0.76 | LIPE (0.39) | ALDH1A1TRPV1SCN5ASCN9AMMP13 | |
| SCHEMBL8538552 | 0.73 | SCN5A (0.38) | ALDH1A1TRPV1SCN5ASCN9AMMP13 | |
| SCHEMBL4713959 | 0.71 | ALDH1A1 (0.48) | ALDH1A1GAAPOLBMEN1KMT2A | |
| SCHEMBL10497873 | 0.69 | SCN5A (0.46) | SCN5ASCN9AHCRTR1HCRTR2 | |
| SCHEMBL8584196 | 0.69 | SCN5A (0.39) | ALDH1A1TRPV1SCN5ASCN9AMMP13 | |
| SCHEMBL19410377 | 0.69 | POLB (0.43) | ALDH1A1TRPV1PPARDPPARAMMP13 | |
| SCHEMBL6177616 | 0.68 | LIPE (0.46) | OPRL1LIPEPIM1PIM2POLB | |
| SCHEMBL1907911 | 0.68 | ALDH1A1 (0.48) | ALDH1A1TRPV1SCN9APIM1PIM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5792780-A | FUNGICIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-08-11 | — | — | US | disclosed |
| EP-0657449-B1 | Azole compounds, their production and use as antifungal agents | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-04-08 | — | — | EP | disclosed |
| US-5545652-A | Triazole and imidazole compounds and their use as antifungal therapeutic agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-08-13 | — | — | US | disclosed |
| EP-0657449-A1 | Azole compounds, their production and use as antifungal agents | Takeda Chemical Industries, Ltd. (JP) | 1995-06-14 | — | — | EP | disclosed |