Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.35 |
| ▸ | KAT5 | Q92993 | 1/20 | 0.35 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 3/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4431549 | 0.89 | GSK3B (0.39) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL10712855 | 0.86 | GSK3B (0.45) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL10914947 | 0.86 | GSK3B (0.45) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL11015946 | 0.86 | GSK3B (0.45) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL11206986 | 0.86 | GSK3B (0.45) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL5970012 | 0.81 | GSK3B (0.50) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL8969034 | 0.80 | PARP1 (0.42) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL1234203 | 0.80 | GSK3B (0.39) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL2508510 | 0.80 | NR1H2 (0.47) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL29699286 | 0.80 | NR1H2 (0.47) | ALDH1A1KDM4EHPGDGAAHSD17B10 |
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-2005105820-A2 | MACROCYCLIC CADMIUM COMPLEXES | UNIVERSITY OF EAST ANGLIA (GB) | 2005-11-10 | — | — | WO | disclosed |