Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | TOP2A | P11388 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1746403 | 0.82 | PIM1 (0.39) | ALDH1A1KDM4EHSD17B10ESR1PTPN1 | |
| SCHEMBL29633624 | 0.74 | CYP3A4 (0.43) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL18152141 | 0.74 | SCN5A (0.46) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL5336040 | 0.73 | SCN5A (0.44) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL12476303 | 0.73 | ESR1 (0.47) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 | |
| SCHEMBL13536957 | 0.71 | CA9 (0.51) | ALDH1A1HPGDHSD17B10ESR1CREBBP | |
| SCHEMBL6250313 | 0.70 | L3MBTL1 (0.58) | ALDH1A1KDM4EHPGDL3MBTL1 | |
| SCHEMBL10738010 | 0.70 | PTPN1 (0.44) | ALDH1A1KDM4EHPGDHSD17B10ESR1 | |
| Ethyl Acetate SCHEMBL29263170 | 0.70 | HSD17B2 (0.50) | ALDH1A1KDM4EHSD17B10ESR1CA12 | |
| Zinc Ion SCHEMBL11179896 | 0.69 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDHSD17B10L3MBTL1 |
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-6414001-B2 | Ether and amide compounds preparation thereof composition containing same and use thereof as antidiadetics | KOTOBUKI PHARMACEUTICAL CO. LTD. (JP) | 2002-07-02 | — | — | US | disclosed |