Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | GALR3 | O60755 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | EPAS1 | Q99814 | 3/20 | 0.41 |
| ▸ | CDK2 | P24941 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 1/20 | 0.41 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | CDK1 | P06493 | 1/20 | 0.41 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10240094 | 0.90 | KCNH2 (0.48) | KCNH2ACHEGALR3LMNAMAPT | |
| SCHEMBL546189 | 0.90 | KCNH2 (0.49) | KCNH2ACHEHDAC1HIF1AEPAS1 | |
| SCHEMBL546288 | 0.87 | KCNH2 (0.44) | KCNH2ACHEGALR3LMNAMAPT | |
| SCHEMBL11888568 | 0.87 | KCNH2 (0.44) | KCNH2ACHEMAPTHDAC1GSK3B | |
| SCHEMBL10240088 | 0.83 | KCNH2 (0.46) | KCNH2LMNAMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL546646 | 0.82 | KCNH2 (0.47) | KCNH2ACHEMAPK1SMN1; SMN2HDAC1 | |
| SCHEMBL546615 | 0.80 | KCNH2 (0.43) | KCNH2MAPTMAPK1SMN1; SMN2HDAC1 | |
| SCHEMBL11888569 | 0.79 | KCNH2 (0.42) | KCNH2ACHEMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL15883827 | 0.77 | NPC1 (0.57) | KCNH2LMNAMAPTMAPK1SMN1; SMN2 | |
| SCHEMBL12002312 | 0.76 | ACKR3 (0.50) | KCNH2LMNASMN1; SMN2HIF1AEPAS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2395000-A1 | Benzimidazole compounds that modulate the activity of CDK, GSK and aurora kinases | Astex Therapeutics Limited (GB) | 2011-12-14 | — | — | EP | disclosed |