Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.71 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.64 |
| ▸ | HPGD | P15428 | 8/20 | 0.64 |
| ▸ | MCL1 | Q07820 | 4/20 | 0.64 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | THRB | P10828 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 4/20 | 0.51 |
| ▸ | CASP1 | P29466 | 3/20 | 0.51 |
| ▸ | CASP7 | P55210 | 3/20 | 0.51 |
| ▸ | GLA | P06280 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.51 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.51 |
| ▸ | ALPG | P10696 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL31262945 | 1.00 | KDM4E (0.71) | KDM4EHTTNCOA3ALDH1A1HSD17B10 | |
| SCHEMBL12986976 | 0.83 | KDM4E (0.77) | KDM4EHTTNCOA3ALDH1A1HSD17B10 | |
| SCHEMBL11076723 | 0.83 | KDM4E (1.00) | KDM4EHTTNCOA3ALDH1A1HSD17B10 | |
| SCHEMBL8196371 | 0.81 | CELA1 (0.48) | KDM4EHTTNCOA3ALDH1A1HSD17B10 | |
| 4-Methylesculetin SCHEMBL409482 | 0.79 | MCL1 (1.00) | KDM4EHTTNCOA3ALDH1A1HSD17B10 | |
| 4-Methylesculetin SCHEMBL29361762 | 0.79 | MCL1 (1.00) | KDM4EHTTNCOA3ALDH1A1HSD17B10 | |
| SCHEMBL7485681 | 0.78 | KDM4E (0.50) | KDM4EHTTNCOA3ALDH1A1HSD17B10 | |
| SCHEMBL24865598 | 0.77 | ALDH1A1 (0.82) | KDM4EHTTNCOA3ALDH1A1HSD17B10 | |
| 4-Methylesculetin SCHEMBL27453331 | 0.77 | ALDH1A1 (0.96) | KDM4EHTTNCOA3ALDH1A1HSD17B10 | |
| 4-Methylesculetin SCHEMBL6839210 | 0.77 | MCL1 (0.96) | KDM4EHTTNCOA3ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000078724-A2 | IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE | ELI LILLY AND COMPANY (US) | 2000-12-28 | — | — | WO | disclosed |