Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.37 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | KRAS | P01116 | 5/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19637243 | 0.89 | KRAS (0.39) | PARP1KRAS | |
| SCHEMBL19948569 | 0.87 | KRAS (0.45) | KRAS | |
| SCHEMBL19617010 | 0.87 | KRAS (0.45) | KRAS | |
| SCHEMBL19637617 | 0.87 | KRAS (0.45) | KRAS | |
| SCHEMBL29246035 | 0.82 | KRAS (0.45) | KRAS | |
| SCHEMBL19959367 | 0.82 | KRAS (0.45) | KRAS | |
| SCHEMBL30188633 | 0.82 | KRAS (0.45) | KRAS | |
| SCHEMBL19636828 | 0.81 | TLR9 (0.40) | MTORMAP4K4 | |
| SCHEMBL20974743 | 0.79 | KRAS (0.44) | KRAS | |
| SCHEMBL29428605 | 0.78 | JAK1 (0.42) | MTORHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3710439-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2023-02-15 | — | — | EP | disclosed |
| EP-3458445-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2021-02-17 | — | — | EP | disclosed |
| WO-2017201161-A1 | KRAS G12C INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-11-23 | — | — | WO | disclosed |