Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 9/20 | 0.37 |
| ▸ | HTR1A | P08908 | 10/20 | 0.34 |
| ▸ | DRD2 | P14416 | 10/20 | 0.34 |
| ▸ | HTR2A | P28223 | 10/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 7/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22994735 | 0.86 | KRAS (0.51) | KRASHSP90AA1HSP90B1 | |
| SCHEMBL21895551 | 0.82 | KRAS (0.33) | KRASHTR1ADRD2HTR2ASLC6A4 | |
| SCHEMBL22994858 | 0.76 | TRPV1 (0.40) | KRAS | |
| SCHEMBL21846279 | 0.76 | KRAS (0.36) | KRAS | |
| SCHEMBL21895552 | 0.75 | KRAS (0.32) | KRASHSP90AA1HSP90B1 | |
| SCHEMBL25020057 | 0.75 | KRAS (0.41) | KRAS | |
| SCHEMBL21846371 | 0.72 | KRAS (0.40) | KRAS | |
| SCHEMBL22087721 | 0.71 | KRAS (0.42) | KRAS | |
| SCHEMBL19637393 | 0.70 | KRAS (0.61) | KRASHSP90AA1HSP90B1 | |
| SCHEMBL22994738 | 0.70 | KRAS (0.60) | KRASHSP90AA1HSP90B1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |