Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MKNK1 | Q9BUB5 | 10/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 9/20 | 0.39 |
| ▸ | CDK4 | P11802 | 3/20 | 0.39 |
| ▸ | KDR | P35968 | 2/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.37 |
| ▸ | CCND2 | P30279 | 1/20 | 0.37 |
| ▸ | CCND3 | P30281 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11057088 | 0.93 | MEN1 (0.37) | MKNK1MKNK2CDK4KDRCCND1 | |
| SCHEMBL11058546 | 0.87 | MKNK1 (0.43) | MKNK1MKNK2CDK4KDRCCND1 | |
| SCHEMBL11059128 | 0.83 | KCNH2 (0.37) | — | |
| SCHEMBL11054993 | 0.82 | KCNH2 (0.38) | CDK4CCND1CCND2CCND3TP53 | |
| SCHEMBL11053183 | 0.81 | CDK4 (0.38) | MKNK1MKNK2CDK4KDRCCND1 | |
| SCHEMBL11056595 | 0.80 | CDK4 (0.40) | CDK4CCND1CCND2CCND3 | |
| SCHEMBL11057759 | 0.78 | KCNH3 (0.35) | — | |
| SCHEMBL11056312 | 0.78 | LCK (0.44) | MKNK1ADORA2AADORA1 | |
| SCHEMBL11057546 | 0.78 | KDM4E (0.41) | MKNK1MKNK2CDK4CCND1CCND2 | |
| SCHEMBL11056591 | 0.77 | KCNH3 (0.39) | MAPK8 |
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 |
|---|---|---|---|---|---|---|---|
| US-4452980-A | DIARRHEA | WILLIAM H. RORER, INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4246409-A | ANTIDIARRHEAL AGENTS | WILLIAM H. RORER, INC. (US) | 1981-01-20 | — | — | US | disclosed |
| US-4225315-A | Triazinones from amidinoureas | WILLIAM H. RORER, INC. (US) | 1980-09-30 | — | — | US | disclosed |