Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2559416 | 0.99 | MAPK1 (0.42) | MAPK1FGFR1CDK8 | |
| SCHEMBL2551801 | 0.85 | NPC1 (0.50) | — | |
| SCHEMBL2563512 | 0.85 | MAPK1 (0.44) | MAPK1 | |
| Hydrochloric Acid SCHEMBL2564290 | 0.84 | MAPK1 (0.43) | MAPK1 | |
| SCHEMBL2550944 | 0.78 | — | — | |
| SCHEMBL2551406 | 0.78 | PIK3CA (0.49) | — | |
| SCHEMBL14860044 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL14860828 | 0.76 | — | — | |
| SCHEMBL2553090 | 0.76 | — | — | |
| SCHEMBL2552508 | 0.76 | PIK3CA (0.53) | MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011121555-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-06 | — | — | WO | claimed |
| WO-2011121555-A1 | ANTIBACTERIAL ISOQUINOLIN-3-YLUREA DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2011-10-06 | — | — | WO | disclosed |