Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 6/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | KRAS | P01116 | 7/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.35 |
| ▸ | TEAD3 | Q99594 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 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 | |
|---|---|---|---|---|
| SCHEMBL21895605 | 0.85 | KRAS (0.43) | JAK3KRASBTKTEAD3 | |
| SCHEMBL22994767 | 0.84 | BTK (0.44) | JAK3KRASBTKNUDT1 | |
| SCHEMBL21895574 | 0.84 | KRAS (0.39) | JAK3KRASBTK | |
| SCHEMBL22994789 | 0.84 | KRAS (0.44) | JAK3KRASSIGMAR1TEAD3NUDT1 | |
| SCHEMBL21896284 | 0.84 | KRAS (0.40) | JAK3KRASBTKNUDT1 | |
| SCHEMBL21895629 | 0.79 | KRAS (0.38) | JAK3KRASBTKTEAD3 | |
| SCHEMBL22994731 | 0.78 | NUDT1 (0.38) | JAK3KRASBTKNUDT1 | |
| SCHEMBL22087281 | 0.72 | KRAS (0.40) | JAK3KRASBTKTEAD3 | |
| SCHEMBL22088501 | 0.70 | BTK (0.50) | JAK3KRASBTK | |
| SCHEMBL21846179 | 0.70 | TEAD3 (0.37) | JAK3KRASBTKTEAD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458445-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2021-02-17 | — | — | EP | disclosed |