Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 15/20 | 0.49 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
| ▸ | WEE1 | P30291 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | MELK | Q14680 | 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 | |
|---|---|---|---|---|
| SCHEMBL21137054 | 0.85 | KRAS (0.49) | KRASWEE1HSP90AA1HSP90AB1MELK | |
| SCHEMBL21136819 | 0.85 | KRAS (0.36) | KRASNTRK1WEE1PIM1PIM3 | |
| SCHEMBL21136743 | 0.85 | KRAS (0.65) | KRAS | |
| SCHEMBL21137067 | 0.83 | KRAS (0.51) | KRAS | |
| SCHEMBL21136719 | 0.82 | KRAS (0.49) | KRASWEE1MELK | |
| SCHEMBL21136914 | 0.79 | KDM4E (0.40) | KRASNTRK1PIM1PIM3PIM2 | |
| SCHEMBL21050703 | 0.75 | KRAS (0.70) | KRAS | |
| SCHEMBL21050660 | 0.75 | KRAS (0.70) | KRAS | |
| SCHEMBL21136871 | 0.75 | KRAS (0.49) | KRASWEE1PIM1PIM2 | |
| SCHEMBL21136814 | 0.74 | KRAS (0.37) | KRASNTRK1WEE1PIM1PIM3 |
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-2019110751-A1 | TETRACYCLIC COMPOUNDS AS INHIBITORS OF G12C MUTANT RAS PROTEIN, FOR USE AS ANTI-CANCER AGENTS | ASTRAZENECA AB (SE) | 2019-06-13 | — | — | WO | disclosed |