Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.69 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.69 |
| ▸ | PAK4 | O96013 | 1/20 | 0.69 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.69 |
| ▸ | LTK | P29376 | 1/20 | 0.69 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.69 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.69 |
| ▸ | CDK8 | P49336 | 1/20 | 0.69 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.69 |
| ▸ | PRKX | P51817 | 1/20 | 0.69 |
| ▸ | NEK2 | P51955 | 1/20 | 0.69 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.69 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.69 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.69 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.69 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.69 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.69 |
| ▸ | TAOK1 | Q7L7X3 | 1/20 | 0.69 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.69 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.69 |
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 | |
|---|---|---|---|---|
| SCHEMBL21018195 | 0.91 | CHEK1 (0.81) | CHEK1PRKD3PAK4PDGFRALTK | |
| SCHEMBL5595593 | 0.90 | MEN1 (0.71) | CHEK1PRKD3PAK4PDGFRALTK | |
| SCHEMBL12944775 | 0.87 | NPC1 (0.66) | CHEK1PRKD3PAK4PDGFRALTK | |
| SCHEMBL7388571 | 0.86 | NPC1 (0.69) | CHEK1PRKD3PAK4PDGFRALTK | |
| SCHEMBL7394696 | 0.86 | MEN1 (0.71) | CHEK1PRKD3PAK4PDGFRALTK | |
| SCHEMBL415254 | 0.85 | CHEK1 (0.55) | CHEK1PRKD3PAK4PDGFRALTK | |
| SCHEMBL9306635 | 0.85 | HPSE (0.64) | CHEK1PRKD3PAK4PDGFRALTK | |
| SCHEMBL9308135 | 0.84 | CHEK2 (0.68) | NPBWR1CHEK2 | |
| SCHEMBL13299660 | 0.83 | NPC1 (0.72) | DGAT1KCNH2NPBWR1SCDMEN1 | |
| SCHEMBL2562072 | 0.82 | NPBWR1 (0.59) | CHEK1PRKD3PAK4PDGFRALTK |
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-6589971-B1 | A method of treatment of a neoplastic disease in a patient in need of said treatment by administering a therapeutically effective amount of a compound of the formula: bind to specific sequences in the minor groove of duplex DNA, and to | THE QUEENS UNIVERSITY OF BELFAST (IR) | 2003-07-08 | — | — | US | disclosed |