Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 3/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 4/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.38 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.37 |
| ▸ | MELK | Q14680 | 2/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | VNN1 | O95497 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 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 | |
|---|---|---|---|---|
| SCHEMBL21846537 | 0.92 | KRAS (0.39) | KRASHSP90AA1HSP90AB1LRRK2RAB9A | |
| SCHEMBL21812223 | 0.91 | KRAS (0.44) | KRASHSP90AA1HSP90AB1EGLN1MELK | |
| SCHEMBL21846568 | 0.85 | KRAS (0.39) | KRASEGLN1MELKLRRK2 | |
| SCHEMBL21812228 | 0.84 | KRAS (0.45) | KRASHSP90AA1HSP90AB1EGLN1MELK | |
| SCHEMBL21812271 | 0.84 | KRAS (0.60) | KRASEGLN1MELKLRRK2RAB9A | |
| SCHEMBL21812241 | 0.84 | KRAS (0.39) | KRASHSP90AA1HSP90AB1MELKRAB9A | |
| SCHEMBL21846572 | 0.83 | KRAS (0.38) | KRASHSP90AA1HSP90AB1LRRK2RAB9A | |
| SCHEMBL21812242 | 0.80 | KRAS (0.38) | KRASHSP90AA1HSP90AB1EGLN1MELK | |
| SCHEMBL21812224 | 0.78 | KRAS (0.42) | KRASEGLN1GAA | |
| SCHEMBL21812266 | 0.73 | RAB9A (0.40) | MELKRAB9AVNN1 |
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-3628664-A1 | IRREVERSIBLE INHIBITORS OF KRAS G12C MUTANT | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2020-04-01 | — | — | EP | claimed |
| EP-3628664-A1 | IRREVERSIBLE INHIBITORS OF KRAS G12C MUTANT | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2020-04-01 | — | — | EP | disclosed |
| EP-3628664-A1 | IRREVERSIBLE INHIBITORS OF KRAS G12C MUTANT | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2020-04-01 | — | — | EP | disclosed |