Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 1/20 | 0.36 |
| ▸ | CLK2 | P49760 | 1/20 | 0.36 |
| ▸ | CLK3 | P49761 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.36 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.36 |
| ▸ | DYRK4 | Q9NR20 | 1/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14247220 | 0.79 | DHFR (0.41) | DHFRSLC2A1AAK1GSK3BCSNK1E | |
| SCHEMBL17582786 | 0.77 | NCF1 (0.46) | NOD1CYP1A2HTTHSD17B10ALDH1A1 | |
| SCHEMBL991522 | 0.75 | PI4KB (0.57) | PI4KB | |
| SCHEMBL1980314 | 0.74 | HSD17B10 (0.57) | GSK3BRPS6KB1ROCK1NOD1NOS2 | |
| Bromide SCHEMBL1982279 | 0.73 | HSD17B10 (0.56) | GSK3BRPS6KB1ROCK1NOD1NOS2 | |
| SCHEMBL6230957 | 0.71 | KDM4E (0.46) | DHFRSLC2A1GSK3BRPS6KB1ROCK1 | |
| SCHEMBL11004814 | 0.71 | PI4KB (0.45) | GSK3BRPS6KB1ROCK1NOD1PI4KB | |
| SCHEMBL11004816 | 0.71 | PI4KB (0.45) | GSK3BRPS6KB1ROCK1NOD1PI4KB | |
| SCHEMBL11008032 | 0.71 | PI4KB (0.50) | PI4KBHTTHSD17B10ALDH1A1LMNA | |
| SCHEMBL11015148 | 0.71 | PI4KB (0.47) | AAK1GSK3BRPS6KB1ROCK1NOD1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6069247-A | REACTING AN ACETYLENECARBOXY AMIDE AND AN ARYL OR HETEROCYCLYL HALIDE OR A GROUP ENHANCING THE ELECTROPHILICITY OF THE ATOM TO WHICH IT IS ATTACHED FOR DISPLACEMENT; USING A PALLADIUM COMPOUND CATALYST, A BASE AND AN ACID | ELI LILLY AND COMPANY (US) | 2000-05-30 | — | — | US | disclosed |
| US-5917038-A | REACTING PROPIOLAMIDE WITH ACTIVATED AROMATIC RING IN THE PRESENCE OF A PALLADIUM CATALYST | ELI LILLY AND COMPANY (US) | 1999-06-29 | — | — | US | disclosed |