Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 3/20 | 0.60 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.36 |
| ▸ | MELK | Q14680 | 2/20 | 0.35 |
| ▸ | VNN1 | O95497 | 5/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21812231 | 0.84 | KRAS (0.46) | KRASEGLN1MELKVNN1LRRK2 | |
| SCHEMBL24460043 | 0.81 | KRAS (0.65) | KRASEGLN1MELKGAA | |
| SCHEMBL21812223 | 0.80 | KRAS (0.44) | KRASEGLN1MELKVNN1LRRK2 | |
| SCHEMBL21471992 | 0.78 | KRAS (0.74) | KRASEGLN1MELKGAA | |
| Hydrochloric Acid SCHEMBL21458593 | 0.77 | KRAS (0.73) | KRASEGLN1MELKGAA | |
| SCHEMBL21846537 | 0.77 | KRAS (0.39) | KRASVNN1LRRK2RAB9AP2RY12 | |
| SCHEMBL21812241 | 0.77 | KRAS (0.39) | KRASMELKRAB9A | |
| SCHEMBL16117872 | 0.75 | KRAS (1.00) | KRASEGLN1 | |
| SCHEMBL21812242 | 0.74 | KRAS (0.38) | KRASEGLN1MELKVNN1RAB9A | |
| SCHEMBL21458770 | 0.74 | KRAS (0.54) | KRASEGLN1 |
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 |