Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LCK | P06239 | 18/20 | 0.88 |
| ▸ | IDH1 | O75874 | 1/20 | 0.52 |
| ▸ | JAK2 | O60674 | 1/20 | 0.51 |
| ▸ | JAK3 | P52333 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7984542 | 0.93 | LCK (1.00) | LCKIDH1 | |
| SCHEMBL7586925 | 0.89 | LCK (0.81) | LCKIDH1 | |
| SCHEMBL7552112 | 0.86 | LCK (0.80) | LCKIDH1 | |
| SCHEMBL7549251 | 0.84 | LCK (0.78) | LCKIDH1 | |
| SCHEMBL7986922 | 0.84 | LCK (0.83) | LCK | |
| SCHEMBL7506710 | 0.83 | LCK (0.74) | LCKJAK2JAK3 | |
| SCHEMBL7547222 | 0.83 | LCK (0.76) | LCKIDH1 | |
| SCHEMBL7504117 | 0.82 | LCK (1.00) | LCK | |
| SCHEMBL7972879 | 0.82 | LCK (1.00) | LCK | |
| SCHEMBL7542450 | 0.81 | LCK (0.77) | LCKIDH1 |
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-6329380-B1 | PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS | MERCK & CO., INC. | 2001-12-11 | — | — | US | disclosed |