Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 14/20 | 0.37 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | VHL | P40337 | 1/20 | 0.34 |
| ▸ | CDK7 | P50613 | 1/20 | 0.34 |
| ▸ | CCNH | P51946 | 1/20 | 0.34 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.34 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22709830 | 1.00 | KRAS (0.37) | KRASPARP1VHLCDK7CCNH | |
| SCHEMBL29423663 | 1.00 | KRAS (0.37) | KRASPARP1VHLCDK7CCNH | |
| SCHEMBL30521075 | 0.89 | KRAS (0.37) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL22692013 | 0.86 | KRAS (0.35) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL22692014 | 0.86 | KRAS (0.35) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL22709299 | 0.86 | KRAS (0.36) | KRASPARP1VHLCDK7CCNH | |
| SCHEMBL22692025 | 0.84 | KRAS (0.35) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL22692026 | 0.84 | KRAS (0.35) | KRASVHLCDK7CCNHMNAT1 | |
| SCHEMBL23074825 | 0.82 | PARP1 (0.39) | KRASPARP1VHLCDK7CCNH | |
| SCHEMBL22709123 | 0.81 | KRAS (0.43) | KRASPARP1VHLCDK7CCNH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022115439-A1 | KRAS G12C INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2022-06-02 | — | — | WO | disclosed |
| WO-2020236940-A1 | KRAS G12C INHIBITORS AND USES THEREOF | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-11-26 | — | — | WO | disclosed |