Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KRAS | P01116 | 3/20 | 0.42 |
| ▸ | YAP1 | P46937 | 2/20 | 0.38 |
| ▸ | TEAD4 | Q15561 | 2/20 | 0.38 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | F13A1 | P00488 | 1/20 | 0.35 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | TGM1 | P22735 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21812223 | 0.86 | KRAS (0.44) | KRASGAAEGLN1 | |
| SCHEMBL21846572 | 0.79 | KRAS (0.38) | KRAS | |
| SCHEMBL21812254 | 0.78 | KRAS (0.41) | KRASGAAEGLN1 | |
| SCHEMBL21812231 | 0.78 | KRAS (0.46) | KRASGAAEGLN1 | |
| SCHEMBL21846568 | 0.74 | KRAS (0.39) | KRASALDH1A1EGLN1 | |
| SCHEMBL21812242 | 0.72 | KRAS (0.38) | KRASSMN1; SMN2ALDH1A1HTTEGLN1 | |
| SCHEMBL21812228 | 0.70 | KRAS (0.45) | KRASGAALMNAALDH1A1EGLN1 | |
| SCHEMBL21846537 | 0.70 | KRAS (0.39) | KRASHPGD | |
| SCHEMBL16117721 | 0.67 | KRAS (0.62) | KRASYAP1TEAD4GAALMNA | |
| SCHEMBL24459955 | 0.67 | KRAS (0.61) | KRASGAALMNAALDH1A1POLB |
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 |