Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 4/20 | 0.70 |
| ▸ | AKT1 | P31749 | 2/20 | 0.67 |
| ▸ | AURKA | O14965 | 1/20 | 0.67 |
| ▸ | CDK1 | P06493 | 1/20 | 0.67 |
| ▸ | LYN | P07948 | 1/20 | 0.67 |
| ▸ | PIM1 | P11309 | 1/20 | 0.67 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.67 |
| ▸ | PRKACA | P17612 | 1/20 | 0.67 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.67 |
| ▸ | CDK2 | P24941 | 1/20 | 0.67 |
| ▸ | MARK3 | P27448 | 1/20 | 0.67 |
| ▸ | GSK3B | P49841 | 1/20 | 0.67 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.67 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.67 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.67 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.67 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.67 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.67 |
| ▸ | AKT2 | P31751 | 1/20 | 0.59 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL5248907 | 0.89 | RPS6KA3 (0.81) | RPS6KA3AKT1AURKACDK1LYN | |
| Bromide SCHEMBL11756541 | 0.87 | RPS6KA3 (0.79) | RPS6KA3AKT1AURKACDK1LYN | |
| SCHEMBL6132075 | 0.84 | MAPK14 (0.71) | RPS6KA3AKT1AURKACDK1LYN | |
| SCHEMBL6132091 | 0.83 | RPS6KA3 (0.55) | RPS6KA3AKT1AURKACDK1LYN | |
| SCHEMBL6132071 | 0.83 | TRPA1 (0.49) | RPS6KA3AKT1AURKACDK1LYN | |
| SCHEMBL6132035 | 0.83 | TGFBR1 (0.61) | RPS6KA3AKT1AURKACDK1LYN | |
| SCHEMBL6073381 | 0.80 | RPS6KA3 (1.00) | RPS6KA3AKT1AURKACDK1LYN | |
| SCHEMBL6076343 | 0.80 | RPS6KA3 (1.00) | RPS6KA3AKT1AURKACDK1LYN | |
| SCHEMBL14577335 | 0.78 | MAPK1 (0.61) | RPS6KA3AKT1AURKACDK1LYN | |
| Propionic Acid SCHEMBL10557736 | 0.78 | RPS6KA3 (0.64) | RPS6KA3AKT1AURKACDK1LYN |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1435957-A4 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMA (US) | 2005-04-13 | — | — | EP | claimed |
| EP-1435957-A2 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3BETA PROTEIN AND PROTEIN COMPLEXES | Vertex Pharmaceuticals Incorporated (US) | 2004-07-14 | — | — | EP | claimed |
| WO-2002088078-A2 | INHIBITORS OF GSK-3 AND CRYSTAL STRUCTURES OF GSK-3β PROTEIN AND PROTEIN COMPLEXES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-11-07 | — | — | WO | claimed |