Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 16/20 | 0.45 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.39 |
| ▸ | ITK | Q08881 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL173378 | 0.78 | ULK1 (0.49) | ULK1PDPK1ITK | |
| SCHEMBL12073259 | 0.67 | KDM4E (0.40) | PDPK1ITK | |
| SCHEMBL18197025 | 0.66 | NAMPT (0.39) | ULK1 | |
| SCHEMBL23390296 | 0.64 | LIPE (0.52) | — | |
| Hydrochloric Acid SCHEMBL23390063 | 0.63 | LIPE (0.51) | — | |
| Hydrochloric Acid SCHEMBL23390064 | 0.63 | LIPE (0.51) | — | |
| SCHEMBL15043259 | 0.62 | KHK (0.39) | ULK1PDPK1 | |
| SCHEMBL486433 | 0.62 | F2R (0.59) | — | |
| SCHEMBL5594098 | 0.61 | AURKA (0.68) | — | |
| SCHEMBL4008398 | 0.61 | AKR1C3 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012030685-A2 | INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS | SCHERING CORPORATION (US) | 2012-03-08 | — | — | WO | disclosed |