Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CD38 | P28907 | 1/20 | 0.44 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.44 |
| ▸ | CDC7 | O00311 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 2/20 | 0.41 |
| ▸ | JAK1 | P23458 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3698514 | 0.86 | FABP4 (0.40) | ALDH1A1HPGDKDM4EMKNK2IDO1 | |
| SCHEMBL3704897 | 0.84 | IDO1 (0.42) | ALDH1A1HPGDKDM4EIDO1PLA2G1B | |
| SCHEMBL3708760 | 0.82 | KDM4E (0.47) | ALDH1A1HPGDKDM4ERPS6KB1HDAC8 | |
| SCHEMBL3135452 | 0.75 | BCAT2 (0.47) | ALDH1A1HPGDKDM4EBCAT2HSD17B10 | |
| SCHEMBL3714031 | 0.74 | AR (0.48) | ALDH1A1HPGDKDM4ECD38CDC7 | |
| SCHEMBL6533513 | 0.74 | ALDH1A1 (0.44) | ALDH1A1HPGDKDM4EIDO1HDAC8 | |
| Hydrochloric Acid SCHEMBL29287793 | 0.73 | CA1 (0.47) | ALDH1A1HPGDKDM4EBCAT2HSD17B10 | |
| SCHEMBL3701694 | 0.73 | BCAT2 (0.46) | ALDH1A1HPGDBCAT2HSD17B10USP2 | |
| Hydrochloric Acid SCHEMBL29287828 | 0.73 | CA1 (0.47) | ALDH1A1HPGDKDM4EBCAT2HSD17B10 | |
| SCHEMBL27647923 | 0.73 | CDC7 (0.47) | ALDH1A1KDM4ERPS6KB1CDC7ROCK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2197835-A1 | BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS | Prosidion Limited (GB) | 2010-06-23 | — | — | EP | disclosed |
| WO-2009030962-A1 | BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS | PROSIDION LIMITED (GB) | 2009-03-12 | — | — | WO | disclosed |